#METABOLOMICS WORKBENCH dinkumar@ucdavis.edu_20190312_104752 DATATRACK_ID:1672 STUDY_ID:ST001154 ANALYSIS_ID:AN001941 PROJECT_ID:PR000773 VERSION 1 CREATED_ON April 24, 2019, 4:23 pm #PROJECT PR:PROJECT_TITLE A comprehensive plasma metabolomics dataset for a cohort of mouse knockouts PR:PROJECT_TITLE within the International Mouse Phenotyping Consortium PR:PROJECT_TYPE Observational study PR:PROJECT_SUMMARY Untargeted and targeted metabolomics datasets were acquired for blood plasma PR:PROJECT_SUMMARY samples of 30 mouse knockouts and the wildtype strain within the International PR:PROJECT_SUMMARY Mouse Phenotyping Consortium (IMPC http://www.mousephenotype.org/). West Coast PR:PROJECT_SUMMARY Metabolomics Center at UC Davis (https://metabolomics.ucdavis.edu/) conducted PR:PROJECT_SUMMARY the metabolomics analyses. PR:INSTITUTE University of California PR:DEPARTMENT Genome Center PR:LAST_NAME Barupal PR:FIRST_NAME Dinessh PR:ADDRESS 451 Health Science Drive, West Coast Metabolomics Center, Davis, California, PR:ADDRESS 95616, USA PR:EMAIL dinkumar@ucdavis.edu PR:PHONE 5309794354 #STUDY ST:STUDY_TITLE A comprehensive plasma metabolomics dataset for a cohort of mouse knockouts ST:STUDY_TITLE within the International Mouse Phenotyping Consortium ST:STUDY_SUMMARY Untargeted and targeted metabolomics datasets were acquired for blood plasma ST:STUDY_SUMMARY samples of 30 mouse knockouts within the International Mouse Phenotyping ST:STUDY_SUMMARY Consortium (IMPC). http://www.mousephenotype.org/. West Coast Metabolomics ST:STUDY_SUMMARY Center at UC Davis (https://metabolomics.ucdavis.edu/) conducted the ST:STUDY_SUMMARY metabolomics analyses. ST:INSTITUTE University of California ST:DEPARTMENT Genome Center ST:LABORATORY West Coast Metabolomics Center ST:LAST_NAME Barupal ST:FIRST_NAME Dinesh ST:ADDRESS 451 East Health Science Drive ST:EMAIL dinkumar@ucdavis.edu ST:PHONE 5309794354 ST:NUM_GROUPS 31 ST:TOTAL_SUBJECTS 220 ST:NUM_MALES 110 ST:NUM_FEMALES 110 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:AGE_OR_AGE_RANGE Adult SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS MOUSE_001 413741_001 Genotype:Pebp1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_002 413742_002 Genotype:Pebp1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_003 413745_003 Genotype:Pebp1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_004 428689_004 Genotype:Pebp1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_005 428693_005 Genotype:Pebp1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_006 433002_006 Genotype:Pebp1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_007 185262_007 Genotype:Idh1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_008 115900_008 Genotype:Idh1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_009 115996_009 Genotype:Idh1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_010 138110_010 Genotype:Idh1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_011 138120_011 Genotype:Idh1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_012 190701_012 Genotype:Idh1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_013 143866_013 Genotype:Atp5b Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_014 143867_014 Genotype:Atp5b Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_015 143869_015 Genotype:Atp5b Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_016 144064_016 Genotype:Atp5b Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_017 123951_017 Genotype:Atp5b Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_018 123953_018 Genotype:Atp5b Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_019 487464_019 Genotype:Iqgap1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_020 487461_020 Genotype:Iqgap1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_021 493977_021 Genotype:Iqgap1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_022 506107_022 Genotype:Iqgap1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_023 435798_023 Genotype:Iqgap1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_024 487667_024 Genotype:Iqgap1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_025 204770_025 Genotype:A2m Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_026 204771_026 Genotype:A2m Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_027 215989_027 Genotype:A2m Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_028 216077_028 Genotype:A2m Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_029 216079_029 Genotype:A2m Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_030 216080_030 Genotype:A2m Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_031 212477_031 Genotype:Mfap4 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_032 212480_032 Genotype:Mfap4 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_033 213386_033 Genotype:Mfap4 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_034 225109_034 Genotype:Mfap4 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_035 225110_035 Genotype:Mfap4 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_036 225111_036 Genotype:Mfap4 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_037 233525_037 Genotype:C8a Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_038 257443_038 Genotype:C8a Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_039 257445_039 Genotype:C8a Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_040 222899_040 Genotype:C8a Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_041 224106_041 Genotype:C8a Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_042 224107_042 Genotype:C8a Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_043 43709_043 Genotype:Galc Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_044 43711_044 Genotype:Galc Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_045 43712_045 Genotype:Galc Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_046 40393_046 Genotype:Galc Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_047 40494_047 Genotype:Galc Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_048 40495_048 Genotype:Galc Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_049 129283_049 Genotype:Dhfr Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_050 129285_050 Genotype:Dhfr Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_051 129286_051 Genotype:Dhfr Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_052 122070_052 Genotype:Dhfr Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_053 125374_053 Genotype:Dhfr Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_054 125375_054 Genotype:Dhfr Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_055 92293_055 Genotype:Npc2 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_056 92294_056 Genotype:Npc2 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_057 97201_057 Genotype:Npc2 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_058 92481_058 Genotype:Npc2 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_059 92495_059 Genotype:Npc2 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_060 92497_060 Genotype:Npc2 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_061 180956_061 Genotype:Ahcy Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_062 180957_062 Genotype:Ahcy Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_063 180958_063 Genotype:Ahcy Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_064 181061_064 Genotype:Ahcy Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_065 190365_065 Genotype:Ahcy Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_066 190372_066 Genotype:Ahcy Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_067 172417_067 Genotype:Pipox Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_068 285069_068 Genotype:Pipox Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_069 285072_069 Genotype:Pipox Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_070 129860_070 Genotype:Pipox Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_071 129866_071 Genotype:Pipox Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_072 129869_072 Genotype:Pipox Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_073 356157_073 Genotype:Mmachc Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_074 356268_074 Genotype:Mmachc Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_075 356272_075 Genotype:Mmachc Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_076 356371_076 Genotype:Mmachc Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_077 356475_077 Genotype:Mmachc Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_078 356477_078 Genotype:Mmachc Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_079 243278_079 Genotype:Ywhaz Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_080 243279_080 Genotype:Ywhaz Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_081 253688_081 Genotype:Ywhaz Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_082 243382_082 Genotype:Ywhaz Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_083 253789_083 Genotype:Ywhaz Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_084 253791_084 Genotype:Ywhaz Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_085 420424_085 Genotype:G6pd2 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_086 429932_086 Genotype:G6pd2 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_087 429948_087 Genotype:G6pd2 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_088 410985_088 Genotype:G6pd2 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_089 430037_089 Genotype:G6pd2 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_090 432863_090 Genotype:G6pd2 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_091 38276_091 Genotype:Gnpda1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_092 40681_092 Genotype:Gnpda1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_093 40683_093 Genotype:Gnpda1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_094 38379_094 Genotype:Gnpda1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_095 40790_095 Genotype:Gnpda1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_096 40793_096 Genotype:Gnpda1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_097 72465_097 Genotype:Lmbrd1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_098 85374_098 Genotype:Lmbrd1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_099 85376_099 Genotype:Lmbrd1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_100 111495_100 Genotype:Lmbrd1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_101 118598_101 Genotype:Lmbrd1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_102 118599_102 Genotype:Lmbrd1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_103 302576_103 Genotype:Pmm2 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_104 302577_104 Genotype:Pmm2 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_105 303981_105 Genotype:Pmm2 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_106 294366_106 Genotype:Pmm2 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_107 296769_107 Genotype:Pmm2 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_108 296770_108 Genotype:Pmm2 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_109 206923_109 Genotype:Cdk4 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_110 206925_110 Genotype:Cdk4 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_111 209532_111 Genotype:Cdk4 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_112 206819_112 Genotype:Cdk4 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_113 217741_113 Genotype:Cdk4 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_114 217742_114 Genotype:Cdk4 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_115 230187_115 Genotype:Rock1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_116 230188_116 Genotype:Rock1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_117 244901_117 Genotype:Rock1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_118 230295_118 Genotype:Rock1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_119 253313_119 Genotype:Rock1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_120 253314_120 Genotype:Rock1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_121 296500_121 Genotype:Atp6v0d1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_122 296501_122 Genotype:Atp6v0d1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_123 296503_123 Genotype:Atp6v0d1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_124 254467_124 Genotype:Atp6v0d1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_125 254468_125 Genotype:Atp6v0d1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_126 254470_126 Genotype:Atp6v0d1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_127 424983_127 Genotype:Dync1li1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_128 424984_128 Genotype:Dync1li1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_129 427987_129 Genotype:Dync1li1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_130 428092_130 Genotype:Dync1li1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_131 447115_131 Genotype:Dync1li1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_132 447116_132 Genotype:Dync1li1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_133 215489_133 Genotype:Plk1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_134 215490_134 Genotype:Plk1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_135 215491_135 Genotype:Plk1 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_136 221098_136 Genotype:Plk1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_137 230007_137 Genotype:Plk1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_138 230010_138 Genotype:Plk1 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_139 448910_139 Genotype:Pttg1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_140 448913_140 Genotype:Pttg1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_141 448924_141 Genotype:Pttg1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_142 493894_142 Genotype:Pttg1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_143 493806_143 Genotype:Pttg1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_144 508035_144 Genotype:Pttg1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_145 244183_145 Genotype:Phyh Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_146 257899_146 Genotype:Phyh Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_147 257807_147 Genotype:Phyh Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_148 244289_148 Genotype:Phyh Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_149 218139_149 Genotype:Phyh Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_150 218142_150 Genotype:Phyh Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_151 345319_151 Genotype:Mvk Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_152 345321_152 Genotype:Mvk Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_153 345323_153 Genotype:Mvk Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_154 328195_154 Genotype:Mvk Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_155 328199_155 Genotype:Mvk Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_156 349944_156 Genotype:Mvk Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_157 366627_157 Genotype:Nek2 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_158 349640_158 Genotype:Nek2 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_159 349643_159 Genotype:Nek2 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_160 349745_160 Genotype:Nek2 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_161 349748_161 Genotype:Nek2 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_162 349774_162 Genotype:Nek2 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_163 487174_163 Genotype:Ulk3 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_164 511373_164 Genotype:Ulk3 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_165 511380_165 Genotype:Ulk3 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_166 487277_166 Genotype:Ulk3 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_167 496303_167 Genotype:Ulk3 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_168 496304_168 Genotype:Ulk3 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_169 237811_169 Genotype:Ptpn12 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_170 237812_170 Genotype:Ptpn12 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_171 206458_171 Genotype:Ptpn12 Gender=M; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_172 248921_172 Genotype:Ptpn12 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_173 249730_173 Genotype:Ptpn12 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_174 249731_174 Genotype:Ptpn12 Gender=F; zygosity=+/- SUBJECT_SAMPLE_FACTORS MOUSE_175 69286_175 Genotype:Sra1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_176 69290_176 Genotype:Sra1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_177 73696_177 Genotype:Sra1 Gender=M; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_178 55771_178 Genotype:Sra1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_179 55774_179 Genotype:Sra1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_180 55776_180 Genotype:Sra1 Gender=F; zygosity=-/- SUBJECT_SAMPLE_FACTORS MOUSE_181 34419_181 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_182 38434_182 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_183 38538_183 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_184 38541_184 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_185 69395_185 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_186 91834_186 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_187 115757_187 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_188 115864_188 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_189 55857_189 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_190 69499_190 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_191 144610_191 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_192 187595_192 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_193 198313_193 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_194 144713_194 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_195 170956_195 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_196 198416_196 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_197 209137_197 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_198 229587_198 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_199 237610_199 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_200 257540_200 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_201 281970_201 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_202 209241_202 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_203 220170_203 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_204 229695_204 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_205 237716_205 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_206 257643_206 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_207 307710_207 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_208 348926_208 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_209 365959_209 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_210 296904_210 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_211 319741_211 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_212 349029_212 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_213 410683_213 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_214 441144_214 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_215 483044_215 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_216 417795_216 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_217 432639_217 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_218 448374_218 Genotype:Null Gender=F; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_219 510073_219 Genotype:Null Gender=M; zygosity=+/+ SUBJECT_SAMPLE_FACTORS MOUSE_220 496096_220 Genotype:Null Gender=F; zygosity=+/+ #COLLECTION CO:COLLECTION_SUMMARY Blood specimens were collected using the IMPC protocol CO:COLLECTION_SUMMARY https://www.mousephenotype.org/impress/ CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY 30 genotypes and one group of wildtype mouse #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites were extracted using standard protocols for GCMS and LCMS assays by SP:SAMPLEPREP_SUMMARY the West Coast Metabolomics Center. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 6890N CH:COLUMN_NAME Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco Pegasus IV TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Data acquisition : An Agilent 6890 gas chromatography instrument equipped with a MS:MS_COMMENTS Gerstel automatic linear exchange systems (ALEX) which included a multipurpose MS:MS_COMMENTS sample dual rail and a Gerstel cold injection system (CIS). The CIS temperature MS:MS_COMMENTS program was : 50°C to 275°C final temperature at a rate of 12 °C/s and hold MS:MS_COMMENTS for 3 minutes. Injection volume was 0.5 µL with 10 µL/s injection speed. MS:MS_COMMENTS Injection mode was splitless with a purge time of 25 seconds. Injector liner was MS:MS_COMMENTS changed after every 10 samples. Injection syringe was washed with 10 µL of MS:MS_COMMENTS ethyl acetate before and after each run. A Rtx-5Sil MS column (30m length, 0.25 MS:MS_COMMENTS mm i.d, 0.25 microM 95% dimethyl 5% diphenyl polysiloxane film). An additional MS:MS_COMMENTS 10 m integrated guard column was used. Mobile phase was 99.9999% pure Helium gas MS:MS_COMMENTS with a flow rate of 1ml/min. GC temperature program was : hold at 50°C for 1 MS:MS_COMMENTS min, ramped at 20°C/min to 330°C and then hold for 5 minutes. A Leco Pegasus MS:MS_COMMENTS IV time of flight mass spectrometer was used to acquire data. The transfer line MS:MS_COMMENTS temperature between gas chromatograph and mass spectrometer was set to 280°C. MS:MS_COMMENTS Electron impact ionization at 70V was employed with an ion-source temperature of MS:MS_COMMENTS 250°C. Acquisition rate was 17 spectra/second with a scan mass range of 85-500 MS:MS_COMMENTS Da. Data processing : Data processing Raw data files are preprocessed directly MS:MS_COMMENTS after data acquisition and stored as ChromaTOF-specific *.peg files, as generic MS:MS_COMMENTS *.txt result files and additionally as generic ANDI MS *.cdf files. ChromaTOF MS:MS_COMMENTS vs. 4.0 is used for data preprocessing without smoothing, 3 s peak width, MS:MS_COMMENTS baseline subtraction just above the noise level, and automatic mass spectral MS:MS_COMMENTS deconvolution and peak detection at signal/noise levels of 5:1 throughout the MS:MS_COMMENTS chromatogram. Apex masses are reported for use in the BinBase algorithm. Result MS:MS_COMMENTS *.txt files are exported to a data server with absolute spectra intensities and MS:MS_COMMENTS further processed by a filtering algorithm implemented in the metabolomics MS:MS_COMMENTS BinBase database.The BinBase algorithm (rtx5) used the settings: validity of MS:MS_COMMENTS chromatogram (10^7 counts s -1 ), unbiased retention index marker detection (MS MS:MS_COMMENTS similarity>800, validity of intensity range for high m/z marker ions), retention MS:MS_COMMENTS index calculation by 5th order polynomial regression. Spectra are cut to 5% base MS:MS_COMMENTS peak abundance and matched to database entries from most to least abundant MS:MS_COMMENTS spectra using the following matching filters: retention index window ±2,000 MS:MS_COMMENTS units (equivalent to about ±2 s retention time), validation of unique ions and MS:MS_COMMENTS apex masses (unique ion must be included in apexing masses and present at >3% of MS:MS_COMMENTS base peak abundance), mass spectrum similarity must fit criteria dependent on MS:MS_COMMENTS peak purity and signal/noise ratios and a final isomer filter. Failed spectra MS:MS_COMMENTS are automatically entered as new database entries if s/n >25, purity 80%. All MS:MS_COMMENTS thresholds reflect settings for ChromaTOF v. 4.0. Quantification is reported as MS:MS_COMMENTS peak height using the unique ion as default, unless a different quantification MS:MS_COMMENTS ion is manually set in the BinBase administration software BinView. A MS:MS_COMMENTS quantification report table is produced for all database entries that are MS:MS_COMMENTS positively detected in more than 10% of the samples of a study design class (as MS:MS_COMMENTS defined in the miniX database) for unidentified metabolites. A subsequent MS:MS_COMMENTS post-processing module is employed to automatically replace missing values from MS:MS_COMMENTS the *.cdf files. Replaced values are labeled as ‘low confidence’ by color MS:MS_COMMENTS coding, and for each metabolite, the number of high-confidence peak detections MS:MS_COMMENTS is recorded as well as the ratio of the average height of replaced values to MS:MS_COMMENTS high-confidence peak detections. These ratios and numbers are used for manual MS:MS_COMMENTS curation of automatic report data sets to data sets released for submission. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized peak height MS_METABOLITE_DATA_START Samples 111495_100 115757_187 115864_188 115900_008 115996_009 118598_101 118599_102 122070_052 123951_017 123953_018 125374_053 125375_054 129283_049 129285_050 129286_051 129860_070 129866_071 129869_072 138110_010 138120_011 143866_013 143867_014 143869_015 144064_016 144610_191 144713_194 170956_195 172417_067 180956_061 180957_062 180958_063 181061_064 185262_007 187595_192 190365_065 190372_066 190701_012 198313_193 198416_196 204770_025 204771_026 206458_171 206819_112 206923_109 206925_110 209137_197 209241_202 209532_111 212477_031 212480_032 213386_033 215489_133 215490_134 215491_135 215989_027 216077_028 216079_029 216080_030 217741_113 217742_114 218139_149 218142_150 220170_203 221098_136 222899_040 224106_041 224107_042 225109_034 225110_035 225111_036 229587_198 229695_204 230007_137 230010_138 230187_115 230188_116 230295_118 233525_037 237610_199 237716_205 237811_169 237812_170 243278_079 243279_080 243382_082 244183_145 244289_148 244901_117 248921_172 249730_173 249731_174 253313_119 253314_120 253688_081 253789_083 253791_084 254467_124 254468_125 254470_126 257443_038 257445_039 257540_200 257643_206 257807_147 257899_146 281970_201 285069_068 285072_069 294366_106 296500_121 296501_122 296503_123 296769_107 296770_108 296904_210 302576_103 302577_104 303981_105 307710_207 319741_211 328195_154 328199_155 34419_181 345319_151 345321_152 345323_153 348926_208 349029_212 349640_158 349643_159 349745_160 349748_161 349774_162 349944_156 356157_073 356268_074 356272_075 356371_076 356475_077 356477_078 365959_209 366627_157 38276_091 38379_094 38434_182 38538_183 38541_184 40393_046 40494_047 40495_048 40681_092 40683_093 40790_095 40793_096 410683_213 410985_088 413741_001 413742_002 413745_003 417795_216 420424_085 424983_127 424984_128 427987_129 428092_130 428689_004 428693_005 429932_086 429948_087 430037_089 432639_217 432863_090 433002_006 435798_023 43709_043 43711_044 43712_045 441144_214 447115_131 447116_132 448374_218 448910_139 448913_140 448924_141 483044_215 487174_163 487277_166 487461_020 487464_019 487667_024 493806_143 493894_142 493977_021 496096_220 496303_167 496304_168 506107_022 508035_144 510073_219 511373_164 511380_165 55771_178 55774_179 55776_180 55857_189 69286_175 69290_176 69395_185 69499_190 72465_097 73696_177 85374_098 85376_099 91834_186 92293_055 92294_056 92481_058 92495_059 92497_060 97201_057 Factors Genotype:Lmbrd1 Genotype:Null Genotype:Null Genotype:Idh1 Genotype:Idh1 Genotype:Lmbrd1 Genotype:Lmbrd1 Genotype:Dhfr Genotype:Atp5b Genotype:Atp5b Genotype:Dhfr Genotype:Dhfr Genotype:Dhfr Genotype:Dhfr Genotype:Dhfr Genotype:Pipox Genotype:Pipox Genotype:Pipox Genotype:Idh1 Genotype:Idh1 Genotype:Atp5b Genotype:Atp5b Genotype:Atp5b Genotype:Atp5b Genotype:Null Genotype:Null Genotype:Null Genotype:Pipox Genotype:Ahcy Genotype:Ahcy Genotype:Ahcy Genotype:Ahcy Genotype:Idh1 Genotype:Null Genotype:Ahcy Genotype:Ahcy Genotype:Idh1 Genotype:Null Genotype:Null Genotype:A2m Genotype:A2m Genotype:Ptpn12 Genotype:Cdk4 Genotype:Cdk4 Genotype:Cdk4 Genotype:Null Genotype:Null Genotype:Cdk4 Genotype:Mfap4 Genotype:Mfap4 Genotype:Mfap4 Genotype:Plk1 Genotype:Plk1 Genotype:Plk1 Genotype:A2m Genotype:A2m Genotype:A2m Genotype:A2m Genotype:Cdk4 Genotype:Cdk4 Genotype:Phyh Genotype:Phyh Genotype:Null Genotype:Plk1 Genotype:C8a Genotype:C8a Genotype:C8a Genotype:Mfap4 Genotype:Mfap4 Genotype:Mfap4 Genotype:Null Genotype:Null Genotype:Plk1 Genotype:Plk1 Genotype:Rock1 Genotype:Rock1 Genotype:Rock1 Genotype:C8a Genotype:Null Genotype:Null Genotype:Ptpn12 Genotype:Ptpn12 Genotype:Ywhaz Genotype:Ywhaz Genotype:Ywhaz Genotype:Phyh Genotype:Phyh Genotype:Rock1 Genotype:Ptpn12 Genotype:Ptpn12 Genotype:Ptpn12 Genotype:Rock1 Genotype:Rock1 Genotype:Ywhaz Genotype:Ywhaz Genotype:Ywhaz Genotype:Atp6v0d1 Genotype:Atp6v0d1 Genotype:Atp6v0d1 Genotype:C8a Genotype:C8a Genotype:Null Genotype:Null Genotype:Phyh Genotype:Phyh Genotype:Null Genotype:Pipox Genotype:Pipox Genotype:Pmm2 Genotype:Atp6v0d1 Genotype:Atp6v0d1 Genotype:Atp6v0d1 Genotype:Pmm2 Genotype:Pmm2 Genotype:Null Genotype:Pmm2 Genotype:Pmm2 Genotype:Pmm2 Genotype:Null Genotype:Null Genotype:Mvk Genotype:Mvk Genotype:Null Genotype:Mvk Genotype:Mvk Genotype:Mvk Genotype:Null Genotype:Null Genotype:Nek2 Genotype:Nek2 Genotype:Nek2 Genotype:Nek2 Genotype:Nek2 Genotype:Mvk Genotype:Mmachc Genotype:Mmachc Genotype:Mmachc Genotype:Mmachc Genotype:Mmachc Genotype:Mmachc Genotype:Null Genotype:Nek2 Genotype:Gnpda1 Genotype:Gnpda1 Genotype:Null Genotype:Null Genotype:Null Genotype:Galc Genotype:Galc Genotype:Galc Genotype:Gnpda1 Genotype:Gnpda1 Genotype:Gnpda1 Genotype:Gnpda1 Genotype:Null Genotype:G6pd2 Genotype:Pebp1 Genotype:Pebp1 Genotype:Pebp1 Genotype:Null Genotype:G6pd2 Genotype:Dync1li1 Genotype:Dync1li1 Genotype:Dync1li1 Genotype:Dync1li1 Genotype:Pebp1 Genotype:Pebp1 Genotype:G6pd2 Genotype:G6pd2 Genotype:G6pd2 Genotype:Null Genotype:G6pd2 Genotype:Pebp1 Genotype:Iqgap1 Genotype:Galc Genotype:Galc Genotype:Galc Genotype:Null Genotype:Dync1li1 Genotype:Dync1li1 Genotype:Null Genotype:Pttg1 Genotype:Pttg1 Genotype:Pttg1 Genotype:Null Genotype:Ulk3 Genotype:Ulk3 Genotype:Iqgap1 Genotype:Iqgap1 Genotype:Iqgap1 Genotype:Pttg1 Genotype:Pttg1 Genotype:Iqgap1 Genotype:Null Genotype:Ulk3 Genotype:Ulk3 Genotype:Iqgap1 Genotype:Pttg1 Genotype:Null Genotype:Ulk3 Genotype:Ulk3 Genotype:Sra1 Genotype:Sra1 Genotype:Sra1 Genotype:Null Genotype:Sra1 Genotype:Sra1 Genotype:Null Genotype:Null Genotype:Lmbrd1 Genotype:Sra1 Genotype:Lmbrd1 Genotype:Lmbrd1 Genotype:Null Genotype:Npc2 Genotype:Npc2 Genotype:Npc2 Genotype:Npc2 Genotype:Npc2 Genotype:Npc2 xylulose NIST 2366 1937 1449 1141 1194 5004 6019 1245 4138 982 1077 827 2429 1267 510 2770 4415 953 3797 4715 4834 324 6038 1379 2881 954 1081 5314 1294 1245 1447 1205 937 1004 5841 1358 785 2034 653 3275 3004 1113 865 848 1034 4018 793 4248 1270 3095 1023 993 2705 974 2738 2677 5257 778 871 595 1058 717 458 267 983 1879 768 866 1927 893 763 4028 879 513 2213 1642 972 1125 892 4010 1026 4140 763 2864 916 1112 1651 1166 4386 331 3582 876 826 922 914 1775 938 637 547 818 2115 917 4222 590 706 859 7732 1072 857 701 2507 780 4593 1040 2164 2401 1116 1209 5594 3633 359 605 3382 790 816 598 952 2468 1021 825 1145 649 712 878 2692 2489 1198 3338 4939 5229 6444 1106 1149 958 968 3726 4605 1905 931 2628 1151 586 1486 2209 801 874 917 3579 4549 1056 2967 829 3495 1799 3346 1167 4453 393 1097 972 3980 812 7054 3681 2491 908 1191 4304 878 3541 3532 683 960 1856 3573 918 5435 2853 1068 1076 1449 997 1490 3296 5076 5101 1271 2593 3653 4065 863 3099 732 3407 889 2480 4181 846 683 969 2234 1009 985 1350 1920 992 1417 2800 206 1016 xylose 32457 11603 15132 51571 8918 4262 30935 10333 22967 3881 12730 11204 4735 7601 14789 6279 4629 3858 51830 6759 10742 11755 8044 6064 3227 4451 4903 9060 7153 34916 9896 26318 8195 7752 6488 21970 8176 2324 17775 4210 33148 6138 4482 23073 10042 12066 33443 7165 8382 11215 9933 30895 6315 5146 5053 7781 3278 33599 28440 6195 14885 15483 9155 8013 8478 8423 3157 10115 31885 2373 4879 7096 19890 7253 3782 19556 6540 37889 43917 6188 16346 28446 40525 8090 17443 11509 3580 7937 32414 35092 11155 3151 28075 23405 5134 3448 5911 7847 4572 18036 4931 6197 5713 16633 21150 3888 37081 13503 39821 3041 8029 33584 44939 51263 3031 25170 5891 25789 29243 8559 13568 4253 7038 18677 7017 6360 6465 10172 16886 15257 22844 12629 14041 55565 36159 12598 27125 24935 26506 9684 8660 9421 15122 5398 5369 7040 24246 16766 6690 21727 7868 23102 29645 8092 2389 1551 34214 18627 14691 2246 36322 8136 2461 20810 7091 37542 5004 27346 54577 11430 15407 32892 8857 40223 22384 29962 3680 4015 35063 3734 3083 19754 53817 7609 1719 13056 16180 6857 4436 3046 30072 12883 10112 2967 6640 3914 5162 13176 3366 36934 20333 9943 21290 10707 2973 31313 11636 7006 7195 7898 8063 5188 11571 4577 1270 12180 16778 12585 10183 8786 xylitol 1678 1548 1852 2347 1897 1570 1737 1744 1845 1697 1106 1199 1597 2206 1824 1943 1696 1832 1826 1521 2221 1877 2304 1925 1525 1630 1533 2229 1500 1539 1806 1536 1206 2145 1058 1556 976 1486 1323 1914 1376 1207 1291 1848 1374 1565 1468 2082 1708 2258 1753 1316 1926 1704 1495 1505 1096 1389 1150 1617 1043 1754 1475 1393 1608 1416 1558 1277 1380 1179 1750 1408 1138 1514 1612 307 2153 1681 1598 1468 1100 1308 1678 2462 1206 1870 1739 1549 1190 816 1631 1254 1365 2141 2209 1202 1455 1701 1563 1635 1409 2538 1009 2108 1913 1557 2641 1511 984 1337 1747 2387 1728 1404 854 2643 2386 1629 1916 1705 2042 1874 1764 1558 1836 1289 2390 1108 1218 2186 1257 1363 1305 3083 1685 1613 1847 1867 1624 1394 1782 1934 2010 597 1946 1808 1754 1662 1464 1363 1666 2261 1696 1617 1526 1246 1375 2109 840 850 1805 1202 1824 2108 1576 1566 1600 1589 2462 2077 1350 1868 1381 1608 2935 1912 1919 1680 1544 1853 1865 1473 1386 1753 1721 1955 1896 1475 2503 1243 1741 1388 1634 1859 1545 2657 1074 1847 2000 2221 2065 1483 1171 2239 1263 2075 2466 2143 1748 1739 1877 1860 1490 1367 2268 1848 913 1677 976 1313 valine 608383 486970 486237 445862 368637 492373 544521 440647 458480 331705 572513 560325 480143 470372 486878 497041 551375 446595 457160 473477 432654 485440 436843 440827 441200 463419 484741 527267 446921 599235 468102 516687 455458 431979 595895 420227 588995 546006 588325 507756 530683 432248 481267 564659 438525 26972 437219 458642 457020 440190 405245 568401 410939 385556 460650 615719 531304 472243 465326 482429 640699 583786 599563 501178 397331 608938 545220 434424 566130 492570 467237 453217 506480 457762 478061 445617 297197 516133 382280 498480 499800 394274 473986 489057 508817 511050 411862 574238 586548 644578 415144 414470 573076 727855 432707 441239 411579 489599 485066 550538 483751 487695 512481 480257 562511 485710 479308 502624 464932 391388 514954 525994 541433 502490 538209 427706 390994 426809 589951 713839 127914 460764 494557 497178 455169 442392 413693 731602 610904 530952 643847 765043 439529 458234 532634 509795 557933 625578 580490 489490 523657 455549 525080 455619 407633 579964 495468 418563 588077 563703 438131 444722 502507 474574 522685 429105 455061 460203 541670 238375 593227 564449 528945 503861 586744 406191 543996 505783 485540 386684 527910 509188 403543 396752 413683 483440 454606 521338 503117 574952 542445 545079 442849 472026 493994 490743 463591 434917 418143 453375 565487 581575 395524 599349 524110 463095 403204 559760 579728 596549 422360 492259 562064 548845 541447 441344 495426 460367 496622 518549 354824 608835 528090 470254 542595 455461 488927 35788 510483 517199 uridine 504 1541 1552 1942 964 1868 1273 1027 682 1400 1148 700 484 1372 1341 2745 3166 1723 607 2744 2247 1034 1537 655 908 1006 711 1381 930 1709 1924 1267 1225 2166 779 2282 1093 2613 1500 2973 2909 1403 902 1022 849 2639 1162 3238 1787 3228 1747 928 907 1807 602 760 885 690 1333 3530 2237 1720 1180 386 635 2832 2042 637 356 540 2095 1182 1263 923 2415 1389 1068 1234 853 690 562 1905 1072 2827 933 1403 1895 652 1818 593 2225 946 2627 671 1155 2303 1655 3045 2963 2691 535 1418 521 214 190 1260 1397 1345 1143 377 1013 2774 871 1036 1648 2334 1173 923 766 2761 922 1301 2084 812 978 1777 1597 403 665 5033 2020 780 1331 693 2282 793 878 2387 1072 883 1289 503 2671 3761 480 1689 2698 2917 822 539 596 872 3429 672 492 1108 565 2292 3252 828 3183 1089 2821 624 3174 1384 3530 1343 483 2754 931 1893 1306 413 2004 1076 2289 3538 2786 1064 989 335 1096 477 3738 1003 556 3115 532 1018 639 694 1394 5101 1701 2851 998 923 1523 416 1176 1469 628 1271 1209 1135 2290 1570 851 3270 1562 2009 1447 1075 638 1975 473 1067 1207 456 uric acid 183 4320 164 1473 1240 185 16756 1632 2563 159 1171 603 1820 197 1373 1163 176 146 2852 1442 177 5457 172 181 3732 8393 1437 182 1433 1266 3996 913 823 169 559 168024 647 165 2423 1428 1450 5438 710 163 846335 1268 469 2338 142 1808 164 2248 185 167 4016 1679 977 1893 1221 4013 896 179 799 2202 3905 1128 1924 3668 176 1689 3018 6733 1643 145 170 1333 1477 866 124 182 163 3505 922 2760 1209 2131 2864 151 1095 1225 2574 160 353 206 1748 2863 5939 2531 3775 1474 2961 14429 7410 150 167515 137 183 1179 640 154 196 15588 178 1111 156 3770 2281 682 1230 2589 174 4387 166 984 174 144 180 533 196 154 1112 795 2715 5623 18971 4128 559 925 3611 166 1160 175 168 1399 3053 19406 3423 1699 985 4529 318 1342 10277 9140 152 153 2733 180 1391 3450 168 153 8796 184 2338 749 1878 924 8968 173 158 203 161 1904 4538 149 781 175 2748 188 153 166 1802 146 187 2365 1096 2407 2039 4033 177 4705 2629 178 3194 220 942 1646 165 2417 140 6274 143 7082 1383 5284 184 5614 5086 1899 5669 3575 753 2056 162 1856 38370 3846 786 166 urea 706000 615770 526662 415457 547902 614076 657376 437575 622081 750471 545566 583458 614259 601477 105157 79017 519244 754809 612330 428204 864288 516700 612362 562496 461797 626430 554081 826113 612316 655156 690399 458290 448997 647677 643874 543960 377731 792368 607861 497390 775693 455539 698355 1034260 596457 535503 534810 281793 586378 654767 690515 583205 549961 812795 488475 124044 889152 582765 675527 692054 607399 861940 512301 586043 461628 375660 724759 763633 568288 543995 505834 440859 149452 771149 507032 515907 440640 435113 567108 621307 490881 502188 207605 331634 672551 433754 642687 770837 789345 906368 528054 644674 490335 603787 427831 418341 778997 830856 663083 432137 653699 639079 546806 544303 611220 459266 1004019 453454 610871 908112 771342 729946 1221470 661069 593441 522710 496785 733645 472830 733989 656068 549962 526019 481339 681157 721473 961535 733775 564114 541483 758764 658592 682420 493164 633138 621330 55660 538824 138933 826442 589728 677113 696424 452279 512233 613402 467083 631739 561137 767785 549494 392838 565536 675524 511467 417219 457553 521281 670718 185225 653183 676529 781648 499224 698887 574591 498325 636490 35026 405221 620761 812747 597228 664680 38449 596521 354258 797609 509133 290351 727310 560611 570484 724981 783542 828475 414054 418508 423848 721317 633050 720179 452954 561125 549415 929836 475916 554083 826064 340496 762103 718043 696665 82235 721447 424345 884752 557078 709372 634850 441021 567389 499294 407176 463355 564064 558015 652646 643065 938422 uracil 1546 4084 2497 415 1944 1545 1633 2125 2100 1653 1748 1474 1844 1945 1578 1252 2154 1377 1513 1128 1751 2071 1033 2339 1908 1522 2295 2156 1066 1472 1274 2451 1831 900 1267 1897 1255 1043 1959 1088 1294 1119 1674 930 1105 1511 2146 1364 1566 1785 1122 2317 1006 1724 1248 1572 873 1587 1586 1695 1371 1450 1092 1600 1746 1688 1893 901 1202 1112 2837 2019 1296 1255 1170 1782 3165 2087 696 1113 1370 1372 2114 3091 1281 1830 2137 1417 1267 735 1775 1113 1009 1924 1981 1819 1887 1191 1204 1345 1180 1701 1469 1786 1324 1028 1370 1771 1277 1190 2007 1444 1203 1009 1316 1827 2209 1196 1999 1756 1546 1101 3032 983 1431 1316 1786 971 1872 2328 1491 1368 1089 1529 1644 1198 1715 2312 1270 982 1313 939 2058 2579 1721 4347 2659 3250 1709 640 1727 2811 1285 1658 1129 1078 1026 1310 1708 631 1422 1667 1668 1204 1881 1482 1089 1193 1544 1992 1206 1688 1552 1486 2168 1256 662 813 619 1195 1165 1005 1261 1573 1289 1294 2428 3138 2652 1938 1983 2692 1971 1886 1857 1833 1557 1935 839 1886 1318 1977 1672 2745 973 2498 1187 3411 1280 2402 3650 2545 2502 2062 3008 2519 982 1394 1408 955 tyrosine 197197 141403 180907 247416 156822 211120 206738 218825 184520 158196 199989 195352 205877 156899 176969 203279 219871 188206 200906 225696 157870 210505 193046 206978 99865 143573 105421 179595 171204 97679 227459 184676 178288 115744 264811 171047 280788 156033 213463 176176 184589 168322 157874 173996 143706 239861 151612 281973 178545 227602 158804 199321 148656 218527 183596 190619 189038 184831 205222 207720 241346 206013 206600 179494 207270 305788 215742 166778 195632 254890 169210 254455 167035 162415 146044 154519 236828 173174 131610 157271 174985 219538 225222 307628 194888 188590 269350 188755 240361 157165 204926 157649 174429 207059 277259 209559 191801 316098 205767 217537 191360 194100 213890 239512 148307 149271 156484 149508 211468 155600 155135 165764 196434 199540 151711 198173 228418 170377 243748 262888 167534 192966 158599 160659 161625 159998 132948 278251 144115 111291 175120 230172 169494 272900 162839 165566 205967 333013 190707 128157 187002 172390 197856 230187 178622 228417 212591 209437 198253 195016 214488 291757 218506 227378 157212 215646 146971 136508 233470 79327 173554 189900 208953 173917 303492 199254 263956 184689 191184 146362 145495 162310 162198 189757 126843 116033 110356 125147 205272 181385 203277 146883 192262 172915 132083 186565 264181 206873 261535 155501 128528 246639 152987 175198 198870 150121 222802 238217 218298 185070 137930 270393 231045 322495 172885 159113 199915 186867 176838 182341 117614 174048 191592 168550 148795 154107 165197 151910 164137 125361 tryptophan 148633 46221 183332 118033 76203 171117 126535 78067 157991 144611 206934 134072 80010 88623 84365 193524 129338 167458 147666 199209 72722 103145 75252 134490 60823 98434 74615 38522 92380 77402 127614 91422 77957 54972 206603 195009 167520 100858 158581 93196 98614 132582 92677 87221 68474 137974 134575 140239 75637 85703 58628 119962 75606 107321 126482 102903 117420 121246 122049 221192 132189 160176 177058 140863 139698 164344 110819 123984 171348 195583 115399 157088 92663 153904 102109 69587 61433 48559 78123 110291 86724 103963 89156 101469 78590 151220 264862 47359 150502 105259 168734 119241 108726 117563 123496 119721 240253 169871 131091 135352 108363 84026 168269 79622 61134 82819 129838 72339 190470 35509 61821 103285 142836 116291 91390 91268 72808 51953 102784 157465 88249 152894 74155 93806 107033 72275 13652 137508 42504 67556 171140 93980 117634 144327 76429 61980 47095 151746 155218 47913 81826 95189 81260 205505 78178 190400 219632 119303 95093 99835 75487 50053 196070 163990 54752 187396 44149 65145 91797 69021 95255 72976 78311 83806 183045 161369 157340 109285 115948 117852 77021 175654 174533 136250 58071 70928 41611 41855 105924 26185 89786 92412 87093 37610 68699 51722 93454 73956 63745 164885 63977 135661 35031 140554 203129 117185 136781 186308 92443 67334 59677 203724 151865 148427 107806 87144 77290 100077 131614 69918 62555 78540 59595 68247 68942 42875 131825 73995 83882 44656 trans-4-hydroxyproline 17381 8592 16182 14776 6407 20543 18775 18852 19071 16129 11732 13349 15030 18348 15808 13842 21439 16627 17257 3536 16217 13579 18564 18517 6489 18535 13622 17944 14461 16770 17466 16943 6249 20666 15675 17965 12921 9746 11982 14899 16846 13724 15353 6258 16799 16964 16725 26121 14821 17100 17682 15333 16633 15487 15086 14719 15368 15051 18063 3432 15839 18583 20193 12720 15950 14925 16119 13857 17590 13771 13925 15585 17529 16215 2435 15361 18614 6941 12898 14885 3031 14580 3449 22976 14149 15267 2287 16616 17162 20272 3059 13017 9557 15271 21529 14304 16452 14308 19197 18345 16806 14513 20801 15997 6392 9255 19814 15751 13918 14261 22229 2284 15479 15872 14602 16745 18059 7702 20936 11761 1589 17002 13244 7236 18530 15006 17316 15699 5139 14811 14160 15880 15461 1271 14981 16496 10425 23498 26365 17559 16123 14632 4002 18072 3812 16997 2411 18710 14179 20435 13474 8028 2776 14028 12204 15488 4627 15901 14679 6826 16439 12301 20465 5680 12884 17781 14716 12762 14020 20958 17079 20841 17328 16862 18194 16339 6444 13614 12483 17698 14744 2941 12380 16529 17507 14693 23196 17719 20127 12051 23296 15438 13234 14977 11745 19790 17095 17628 6510 3950 16254 12611 10385 18302 12031 15453 17477 13749 13280 14524 16357 15555 7223 7171 15348 7194 14430 2286 17216 10181 thymine 593 1028 972 1111 995 752 765 1545 947 760 489 532 805 924 814 973 991 964 783 1092 845 530 947 1095 661 957 960 991 410 688 555 1217 921 661 789 1073 615 576 530 708 758 656 804 478 601 863 1065 786 712 976 630 421 1216 1052 755 738 570 848 1087 965 725 768 1373 1071 998 653 792 391 543 742 888 1182 569 554 473 595 1392 1163 420 873 379 586 1193 1396 726 900 1278 814 626 444 1352 667 1300 827 885 884 1413 1173 991 730 772 619 1132 616 852 624 757 638 559 397 1148 814 679 488 575 975 1228 686 769 1119 765 753 916 707 1226 849 797 683 775 610 937 731 709 790 766 610 911 734 743 551 729 821 1134 1316 536 1353 978 1056 1104 719 856 1167 635 1342 665 888 596 706 525 626 731 937 680 883 968 710 817 687 1017 1253 991 1217 1060 847 938 683 782 563 734 639 645 602 889 843 759 638 1241 921 1274 1147 791 994 801 822 961 1579 910 1053 468 1070 684 1048 817 1273 445 921 629 901 451 1235 703 1156 1135 649 846 944 393 423 649 290 thymidine 1071 1356 1178 956 907 1221 996 1833 1050 762 451 748 842 1246 1296 855 1539 488 1152 1058 719 809 1128 304 789 1564 1134 1396 492 911 241 1360 864 570 863 1652 787 576 639 508 892 523 1072 804 57 763 912 773 498 1093 921 1647 882 1206 892 754 558 959 1252 760 967 955 1390 586 1186 479 495 406 899 718 705 1137 700 418 434 626 1991 1378 301 872 547 489 673 1023 812 651 971 897 685 935 1851 865 282 1086 1341 926 1904 842 1054 514 988 368 1261 780 1035 528 952 777 636 766 1124 651 734 724 239 971 1404 796 975 460 1981 741 1007 657 1173 543 984 794 1113 736 751 1152 770 1670 1173 654 1431 453 753 802 1220 833 1284 983 511 1379 1226 1035 1592 995 710 1197 2202 1223 692 720 859 683 859 519 637 1343 882 1064 1423 568 519 695 1243 1458 1227 1472 1229 790 613 710 663 737 750 756 880 647 769 770 800 357 1917 786 1424 1159 1188 835 1213 735 1034 340 1101 1090 536 1540 885 763 720 1288 516 1121 823 844 414 1164 656 1485 1626 811 952 1355 571 2127 843 215 threonine 71986 59391 60278 95162 60658 92361 76942 88006 66453 44584 66972 82711 79779 66326 75682 92773 77305 67607 59833 91150 50481 68287 70110 84712 53638 61448 63527 69657 74690 86352 80889 99691 72656 53377 88445 63736 77678 56296 67707 75849 76418 60438 99203 76789 56538 98316 73818 58480 63250 76406 63285 100333 43808 51775 69446 70555 58721 78724 84583 77935 95123 84333 115691 66293 83729 84438 60136 62906 76364 74354 80956 98412 75159 67158 69647 79933 72037 78254 52862 67121 70280 77317 77174 53830 72670 80209 88611 85420 87034 91475 95016 51047 73157 97757 76947 70417 58651 77792 86954 94581 74407 57284 96268 47388 66851 50949 61926 74663 74016 43794 37443 71953 66632 103595 57910 73922 52855 94355 80579 101885 89291 74760 53153 82397 66514 61963 60514 104909 59934 54492 89793 86874 67552 56610 71564 68284 98990 62008 70438 56606 78283 60994 66939 85932 58520 104836 85514 60275 86998 71537 65685 68526 97504 65002 73781 80013 79240 71637 95816 49937 72555 79749 59601 82435 107916 81448 90338 75301 77575 53315 74826 88298 83153 88885 47245 56618 75593 50975 65854 78550 94082 67756 70073 63378 50731 57374 69320 82287 65891 67101 36141 59068 63237 47454 80733 45168 76088 86706 85211 100280 51444 62459 68020 80527 97094 62034 61326 65796 44542 64254 52553 73112 78681 79256 68526 77792 65377 67125 84123 26041 threonic acid 13208 17590 17364 14254 12451 13997 11646 19188 16526 14694 10611 12520 15129 24206 18502 15886 19410 14653 10994 14967 13601 11617 14422 14959 14537 14122 11420 15962 10681 11019 13707 12927 13807 10517 11188 14974 10242 11764 14472 12517 12421 10658 13899 11504 10354 16571 12487 19748 11939 15892 16605 18601 12294 13626 11630 13722 9503 11395 11292 16669 7321 10669 13906 9881 16820 16099 19743 13494 10948 12621 21807 11874 10770 9948 17917 13971 11754 16034 9962 9087 12636 11967 14726 12314 14275 17864 15540 14333 8938 10330 12447 10100 14303 12534 11587 13835 24017 22477 16411 17531 20829 10928 17195 7328 16947 10042 15847 13354 11635 10213 20035 23262 13826 11094 14418 15435 8715 12593 19624 16870 9040 9912 21075 10390 10895 10089 13322 10476 7453 14278 12283 10878 9629 7218 16313 11756 14512 7342 8108 11248 16666 11116 16941 22120 12397 24802 13966 16450 12707 14357 18420 10317 15709 22131 10173 11507 10553 14583 13701 6457 13226 10501 12351 12624 14200 9740 12009 11122 12493 10691 10408 17018 12354 13253 21244 13596 17665 11389 9411 3523 7918 9648 8377 12299 14189 11067 8162 17383 10434 10871 12975 10858 12615 15942 13570 14248 14350 14529 9876 17768 10434 14893 9925 15158 11136 19662 13449 18243 8947 4103 13684 15026 13751 13819 12504 14295 12245 13184 12535 2938 taurine 66814 166604 33130 94520 60991 62034 42308 46155 97867 32496 72471 93234 94660 32130 77063 83535 90324 41835 55661 70243 22919 88781 28358 20758 88315 53396 55587 25117 83039 35781 85446 45166 93310 1666 37914 58682 41505 64184 154795 88127 82922 72856 50518 55964 44839 69854 46179 129985 39282 77097 43736 86692 57241 20616 64154 112870 48976 40194 76053 72958 53133 56970 50172 66838 84582 97758 109634 40791 46400 111812 77373 39939 74586 44728 77360 61764 27453 68889 43111 32930 91118 108050 93321 141750 62920 122530 85378 56418 45876 29078 54017 12998 57221 117799 75041 101232 67104 57437 78898 124360 110761 69915 101296 60216 68343 25885 39755 68463 51164 34170 66833 92487 27725 63973 56453 116865 71267 48866 66672 44798 62653 40562 81957 73924 94781 57397 31816 52978 49635 60913 91610 44011 33924 68774 74447 80052 41040 56448 78524 45710 79513 79553 67415 74672 132972 37717 65455 63882 48715 27647 81039 50837 47447 73749 49433 19518 37540 46034 24870 29990 54730 45083 60560 62859 28800 53245 68143 67839 95889 20238 37047 52298 14976 78218 185358 5956 55859 31910 89176 23344 25651 78666 56497 95922 65608 64231 36924 137985 97169 62822 30089 116207 76639 78573 28346 3181 43612 65370 67800 77707 9310 130030 58004 104243 50086 101922 80653 135847 79376 97105 67433 67941 110558 107360 45099 82785 50334 68150 60624 94876 sulfuric acid 2634 10489 4434 13742 36757 9018 14883 8619 6335 6024 3308 14549 2135 29622 8829 565 1594 2370 3826 33504 7417 10201 11051 5111 4719 7102 11886 12833 6242 7619 10712 3612 5783 1284 6549 12702 7986 1317 10767 18380 11615 10713 6456 7961 12215 7878 10599 19215 19975 73288 17151 49613 24222 20592 4899 2643 16303 5657 24636 11106 3252 8366 20303 4654 5908 15113 5509 3600 4235 2613 3958 2139 13363 8235 25782 17089 10409 13595 5361 6495 764 7750 14788 52583 23002 50011 34357 19114 5882 1830 6976 11740 12128 25955 30563 10488 11429 14721 3527 29742 7638 9066 11443 4782 6574 18790 7514 22579 2534 7196 16982 24282 8314 16134 2445 15699 44378 13021 4162 5637 15841 3296 9065 8577 18171 25647 6373 8073 6999 33441 14794 20153 23811 17307 3972 6127 5712 15647 19866 27324 8665 5366 18130 29304 3859 880 8717 8936 4543 1760 7853 7795 29647 6459 7653 15368 15424 20605 10150 5375 9972 17122 7232 4652 2628 15624 14958 3529 15007 22905 8793 3672 21347 18053 11745 25309 7881 8631 1074 10030 7505 8916 23919 21725 4126 15337 6593 66504 61782 8193 10922 24000 11586 38608 5841 1055 14852 32023 7804 11486 2754 726 2330 13478 1614 3280 3222 2360 2599 16046 3028 32671 18975 10649 7489 11803 15162 1585 4384 8077 sucrose 515 102 287 476 29039 346 177 31099 116 163 1362 1579 463 715 103 307 321 513 204 516 134 294 371 484 560 219 440 305 290 518 290 305 135 451 1071 294 2395 209 750 378 253 238 293 469 92 454 412 5871 279 425 283 656 242 660 1923 225 547 666 263 451 2666 430 587 91 343 586 1165 614 402 959 488 460 413 472 339 481 457 404 808 594 492 466 293 163 1770 462 551 211 526 867 465 230 239 554 262 484 580 563 93 659 1346 1552 389 196 302 934 146 363 226 143 465 235 160 415 346 931 399 242 351 907 514 505 2538 320 309 252 212 484 51 342 406 826 434 2157 1947 562 453 246 595 384 285 588 53 616 184 689 238 454 253 365 984 370 187 673 538 130 479 368 313 222 512 1461 682 254 176 587 743 195 2311 558 137 1308 1077 265 229 188 599 129 250 68 86 531 2680 293 663 280 697 440 419 857 284 432 1462 488 795 674 940 649 188 546 162 401 1172 1151 260 269 209 631 323 170 383 477 1057 706 298 216 389 1195 225 211 succinic acid 6312 9496 530 8210 4982 4501 6154 9916 13038 8002 7583 7833 7871 9699 12863 7912 14604 15492 9674 6497 7580 5166 8043 6354 6984 6839 5800 8651 6622 8486 7765 12414 7230 8409 5215 7808 6764 7401 10479 9145 8331 4801 5217 6922 8963 10974 5808 13596 7755 15766 8273 13095 8349 7421 6758 10427 7330 8936 5932 11787 4987 6315 5579 9543 7429 8891 25052 5977 6499 8366 13150 5032 5982 4886 6525 7788 10621 7974 5219 3653 7478 9708 8540 16102 9762 9003 10867 5498 8686 6519 8513 5899 7943 13381 11229 14133 5824 4712 6975 6212 7640 5366 2497 8738 6451 7873 4931 12334 6426 5140 11160 11296 6732 7275 7277 7586 17277 10982 8205 11469 9007 6224 8173 9564 8181 10913 8830 5746 5716 12714 4112 9657 9900 12175 7246 7690 8968 9678 9351 8328 7178 11080 8691 6883 5336 9835 9220 24197 12009 9902 10818 11721 12436 7268 5251 4419 9981 8226 16373 4231 9148 6375 10623 8959 14628 6239 6241 7968 9067 6895 4736 5843 6071 6673 15780 6862 11449 7570 6059 4515 3016 5996 8045 6530 8838 5252 9620 12418 11215 7087 4337 6790 4854 7143 12385 9286 8774 10234 3815 3769 8586 5565 5770 15220 5713 8203 5707 8054 6072 7466 13995 6887 5310 7606 8196 6652 8809 13559 8338 4846 stearic acid 438302 267232 282933 392831 260135 506172 354566 329515 400470 411835 213968 247485 376521 441346 416633 590056 474435 353897 423497 427414 541846 411551 540580 581202 335542 364377 269077 678446 310300 299921 461891 311362 229216 435440 227580 320922 250411 369416 215909 349119 396083 299592 276414 424341 250297 446581 263621 506625 268312 422495 497666 365676 459592 336786 437221 350124 279159 372075 245524 428414 383247 501478 333207 367599 356054 412098 369283 391193 414679 358158 375780 453097 272869 363571 376450 238139 261933 291653 307030 489851 449620 366100 415013 438418 274125 370639 385684 298034 388129 378752 428370 295412 258820 493239 269293 400589 325659 430573 404227 401955 398654 327764 406127 302949 302527 297426 542633 307646 280164 331531 440100 391994 586373 266326 370661 431262 315118 292907 416462 475117 387597 355339 389759 250782 417180 299701 616727 359515 523248 266098 363420 264219 256036 432463 372363 330187 291655 381019 529467 307977 355277 379815 459534 407334 352258 460603 381133 280807 276734 393159 354609 224218 432165 492935 331415 287409 381944 419686 380746 217509 416305 305793 454647 428499 410473 300468 416580 328930 358913 342391 297860 554816 344062 405416 437340 281772 243886 481501 353299 438323 403714 331351 231802 428057 409672 280009 294043 352440 290269 259725 393438 428637 290300 490722 393757 598307 279169 429598 449279 374811 349535 349979 259155 438362 283864 461603 478036 387623 342631 288509 409291 287672 274132 258273 440639 328901 353398 1052739 302031 414940 serine 50552 48427 45552 71534 53282 68911 47177 78839 52935 36292 53274 67976 59741 57583 63076 72975 64784 42355 41642 67610 33958 47373 50734 52575 49559 60116 48577 43534 52256 47683 56553 68018 59220 30734 61236 46900 61428 46583 45194 56856 47251 46237 74921 56989 44424 71854 59092 46700 35716 27490 46862 65742 37565 35575 50608 50770 38703 53357 54700 53785 69946 57783 78638 40754 62952 64955 40808 37067 53363 51030 71627 72439 49929 43492 58444 56776 76528 50859 37984 45654 54804 57887 58861 65580 55151 58689 66678 52889 51873 63606 71580 33368 54065 58759 82655 47393 45393 52679 67879 56179 50438 51923 69450 67731 53402 38060 45549 61983 45662 36175 24751 42811 37647 67414 47176 61290 74386 70098 64376 69124 56783 45028 47503 64839 53376 45577 44643 64420 46145 41855 65275 55288 44704 74710 50987 49556 77283 83560 55927 57333 55770 41734 54394 73861 49562 68609 67598 39719 66946 50476 45826 105948 58158 41727 55131 57918 60003 50068 45288 28715 46215 55726 39410 62877 58773 49917 67822 54554 56589 40858 44462 53342 46872 58250 26963 36664 62175 42635 55209 53477 57997 48729 37121 52776 40500 39132 96961 58923 77104 35897 26238 36924 53317 50020 68524 26322 56761 54304 64136 67576 22358 63144 47304 64642 51429 50453 48104 53317 27961 44284 43502 46313 59169 70834 61164 76287 52419 49165 58084 16906 saccharic acid 572 1367 773 1307 1038 740 885 902 933 564 825 738 814 1750 1199 685 863 660 750 994 381 1064 851 849 814 661 844 789 806 746 1118 674 954 1157 705 887 1023 610 985 1034 1078 850 717 805 893 840 629 1206 1278 1224 1186 2092 1172 1112 1061 953 852 1120 700 1266 491 678 839 811 580 1317 1445 737 742 1089 2070 1202 637 598 758 935 625 1473 643 791 596 1348 1513 1141 841 1505 1255 1152 785 588 812 986 465 770 516 869 612 815 583 1202 1202 879 1015 628 1634 798 975 829 777 676 1088 1614 717 1070 652 1490 888 930 1866 954 596 766 1071 627 1113 421 811 900 207 1155 779 911 996 186 1288 743 1255 437 1017 803 1495 794 1492 1502 685 1117 1585 888 933 606 1468 792 1009 1029 798 802 746 1273 1495 408 978 585 906 941 1211 808 879 1018 1408 1033 492 726 518 885 1403 842 1435 672 779 705 479 535 1055 640 825 1324 867 1568 780 924 498 1326 1314 869 993 545 1098 1012 865 1510 1134 720 292 238 714 1226 264 1690 643 1233 929 1081 1262 823 894 768 322 826 745 566 ribose 10195 56070 34837 14581 7600 5311 2239 10517 9350 14682 12531 4894 7897 685 3186 2011 11120 4016 3501 7688 13736 21199 13672 8400 19836 6910 14798 5085 14976 11375 22359 5320 9052 4775 3939 9712 2905 2135 20246 8438 6656 17204 8514 10898 1399 4223 3411 9187 5194 6242 4253 5916 5281 10145 4601 9777 5757 5645 5746 2405 2864 8327 9203 4540 6766 8545 8511 4425 4972 10186 7413 6150 6017 12097 671 22062 9217 5071 4677 15271 25149 15249 10979 11848 8154 12699 7005 6814 4738 9426 5624 10371 8253 9800 4948 19017 6151 3257 2976 7154 3967 3386 3867 3515 4248 4347 5081 9433 3917 6636 4538 6661 6732 7305 3946 7158 2487 5780 5465 3132 6617 5005 22736 4632 3766 2284 4196 2074 2648 5680 5552 1380 1854 2641 9910 3285 3801 2317 3369 4275 4655 3217 5719 8944 15012 14761 30402 16374 3540 5949 4084 8067 7963 12368 3283 619 8994 2450 4927 3186 4062 3666 4106 2525 3880 2889 4751 3275 4089 4049 1198 3451 2471 6059 14832 3126 1480 2918 11449 6048 2345 13364 5796 1261 2195 5801 5669 24398 4590 7469 24593 24765 18048 6762 6944 4787 11986 7859 1548 10957 3750 15769 4084 27268 16667 11782 2977 39465 4589 913 37494 3542 1286 24781 12226 16561 22768 10035 8799 41802 ribonic acid 621 602 577 952 775 740 775 967 747 547 707 553 728 969 1015 761 749 915 696 834 676 998 388 782 634 736 848 734 721 653 771 958 863 752 803 837 733 707 773 923 786 664 785 844 662 890 1247 982 674 983 915 958 912 838 930 726 835 910 898 1057 1069 768 1028 599 1234 968 896 893 803 983 1102 839 879 389 862 872 602 868 676 818 539 785 865 628 1213 794 1261 803 699 709 985 644 1261 607 453 545 531 650 728 902 784 491 820 413 603 447 601 749 699 455 839 935 801 376 697 1133 749 827 1060 968 669 636 469 949 1128 511 869 548 990 454 1067 631 951 915 664 544 678 631 900 555 793 698 761 1053 571 998 1116 1215 900 927 624 552 946 1472 601 435 792 611 794 313 674 936 657 743 934 676 959 728 727 1135 745 821 630 754 1180 967 1052 642 284 878 367 518 684 628 834 534 616 938 605 630 681 950 589 1118 796 811 792 929 905 840 610 843 782 591 634 880 1000 953 527 660 521 735 544 564 553 830 757 1176 954 553 ribitol 869 821 724 1054 903 850 706 1069 838 915 772 906 687 1810 1159 944 918 837 866 952 1310 886 1043 1021 654 931 1053 1242 937 881 838 749 944 897 621 846 949 631 849 981 756 899 698 800 729 942 418 1043 516 1013 864 856 1089 1099 782 886 1037 748 781 8520 907 915 499 861 1183 666 888 637 742 680 1175 1060 823 970 5488 814 1000 841 898 1004 809 844 1038 1014 878 1123 1256 972 751 622 1372 805 1172 952 787 774 915 814 814 1034 818 892 913 816 789 630 1113 756 667 517 349 4801 1022 870 883 1006 865 852 1059 1106 6890 859 949 761 1327 614 1049 973 588 729 941 911 773 5708 946 830 855 911 1042 647 869 904 944 907 863 840 1171 880 902 721 969 545 6428 1179 703 655 708 1285 164 479 785 546 892 742 963 636 856 592 1184 835 804 1035 829 797 1362 732 476 969 1011 989 695 712 786 909 954 952 873 933 1041 800 794 977 956 882 797 1066 688 1201 841 1058 799 517 636 6048 761 854 991 1095 833 714 817 889 713 847 890 477 995 1080 877 1070 raffinose 36 124 195 760 603 794 966 714 66 367 796 1257 1055 658 541 43 853 770 34 588 288 380 804 919 74 235 727 161 739 648 1011 457 43 1193 1286 162 4255 1168 1173 1415 538 1021 1169 958 908 723 1065 940 753 543 912 1255 479 599 344 25 942 768 813 2128 1161 962 886 67 1294 785 1961 943 582 1885 472 417 576 835 581 644 235 308 675 526 43 1013 1654 1470 785 84 1547 642 1135 42 973 958 658 69 641 57 660 1508 57 916 509 527 31 55 47 166 634 1167 700 438 48 636 716 694 790 429 626 1064 1517 1662 785 877 186 965 416 440 748 30 64 93 1065 734 1671 587 825 152 900 867 751 861 1001 47 102 1004 332 388 394 473 1216 68 552 843 1445 372 893 945 1402 543 1533 470 629 621 1473 26 1658 527 1726 1103 43 145 495 759 784 48 839 586 1237 921 233 853 787 17 685 1048 502 840 406 655 403 1637 44 1490 290 330 1961 1627 1023 1756 763 38 1000 562 370 1145 843 254 841 893 516 844 781 268 665 618 410 732 334 1053 826 212 pyruvic acid 4873 8940 5049 4167 7125 1664 1457 7230 3847 10268 5490 2320 6664 2909 2916 6672 2550 5093 4827 1051 3273 9829 4186 7277 11948 5893 7956 5836 5880 3168 18172 8146 1613 7198 3063 3746 2320 2919 9616 3841 4246 8293 6723 6244 3336 3161 4163 578 3178 3593 6530 2809 5219 8971 2818 1499 2976 5848 2895 2218 2078 2868 3712 5879 9887 3244 12575 7773 7456 7753 5192 5317 4336 7987 9870 19401 2855 5940 5783 4925 10424 6514 3387 2452 6561 6542 1762 1552 3603 3477 2646 9438 3772 12069 6003 3042 6685 12639 1647 2940 8806 3134 2584 1430 2810 10903 4823 3038 2700 5179 2840 3761 3802 2965 5577 1307 2518 2855 4611 4129 2364 4235 5192 5994 9503 5204 5505 2978 3382 7088 2099 2446 3919 3076 2683 10305 894 1431 2907 5882 5010 7814 2017 2816 8656 2334 4543 19046 1446 2704 2383 6385 2009 15387 4558 964 8652 4389 3373 1372 6611 5100 2160 5776 1214 4672 2646 8659 7237 5460 2389 1594 3539 12060 11912 15035 3156 3973 4647 1470 8248 17167 1182 4742 3919 4010 3706 8265 7400 9893 15338 8785 9221 1197 4494 893 5832 3837 591 4088 8012 8222 5587 8178 6429 7296 8578 20245 6023 2969 9622 1190 3316 14809 7790 3204 6308 1730 1158 6739 pseudo uridine 4556 4884 5086 2938 3697 5788 4249 4274 4254 3644 3314 2559 3292 5113 5009 3697 3360 4083 3776 3746 3721 3611 2778 4154 3660 4363 4121 4067 2572 1882 2807 4712 4168 652 2865 5680 2657 2502 3094 2380 3663 2765 1773 3521 2446 3866 4821 5312 3088 1579 3939 5169 5029 4123 3121 2265 3091 3464 4222 3899 2666 3640 3643 2273 4102 1713 2223 3054 4493 1308 5835 4861 3981 2908 2623 2749 3333 3067 2275 2295 3074 3872 4333 4248 2592 3174 3595 3844 3245 2485 4978 3868 4135 3943 3739 3825 3631 2573 3898 3725 3756 3101 3162 1476 3812 2812 4392 2585 3884 3750 3802 1018 3523 2923 3311 5889 3478 1471 4754 4121 2944 4615 4796 3716 5180 4620 3644 2932 4588 4909 3511 3431 4348 518 3791 2171 2994 1753 4358 3016 4240 3353 5076 5053 2776 5961 5797 3391 1701 3126 3197 2524 2891 3575 3770 4166 2561 3319 3714 2351 3613 3686 2993 3018 4000 3131 4075 3223 3985 5468 4103 4066 4803 4571 3127 3414 2857 3391 4002 2585 2774 3068 4318 2954 3485 4333 3603 3581 4241 2584 2535 4886 4338 4587 4161 2332 3752 2053 3070 3532 2374 4470 3909 4872 3077 4371 4456 4848 2192 3478 2789 5851 3115 2503 3551 3464 3181 2912 3431 2560 proline 58299 115815 125903 120242 135323 158499 192982 88967 140174 141072 63648 127001 150925 156381 181344 43610 164556 132428 45034 128189 155175 49691 131170 150770 12265 21551 30772 155987 131695 173921 72449 70924 49415 119485 47219 141268 82956 158570 58515 124471 122883 134918 149668 46003 148002 135587 55787 158834 142743 137959 154538 124438 158970 145026 40482 47696 157907 41542 143746 119040 52742 170340 92467 121999 145005 53394 104158 124108 75032 21592 111578 53933 141272 120497 137688 69471 55382 72097 114961 72982 164665 101830 159044 122942 84837 109713 119191 179396 122615 82148 141031 141023 49422 73397 74010 82440 154309 133822 42173 131646 53562 163243 76118 140559 78478 123536 164013 58044 40364 54218 204051 128441 148045 115215 146805 129474 63134 92774 52013 142907 144385 129520 129887 113450 45880 135124 154110 141204 158545 110937 40536 77374 128179 122831 141640 59007 148587 78093 163408 182371 63655 158482 136092 127758 71649 149391 123295 121605 108450 185034 76269 190026 111263 128708 56149 131078 85798 167056 122776 64474 142013 155363 159367 96302 132223 47248 39412 48021 56902 159707 202588 149754 130561 139817 132756 131397 95453 164622 29636 183717 65770 27658 30983 143126 168994 149421 129647 108194 86598 117534 231764 130134 132093 147579 31082 178818 137652 137173 90899 97999 125582 28179 123015 127665 70406 19237 158233 118375 136997 151393 102790 157957 89299 83428 140930 98926 123836 116370 52587 148754 pinitol 946 890 1177 3100 1698 1549 2021 2046 1229 1404 371 2119 2367 1923 2406 2471 2056 2229 2007 3223 1532 1597 2232 2084 704 1212 1472 1514 2523 2044 2796 1760 1594 2220 2317 1881 1409 1515 2439 1159 2284 1739 2274 763 1873 1746 2142 2256 1580 3309 2819 2442 1002 1590 2923 2098 3362 599 1646 2142 1978 2076 2368 1949 1990 2813 2871 2679 2778 2441 1671 1929 2071 2146 1228 1731 1391 2066 1390 1798 1507 2011 2883 1435 1861 837 3495 1033 2256 1147 1648 1558 2407 1317 1069 158 1981 2663 1678 2635 2878 1256 1073 1525 2099 1553 2527 2357 1912 898 751 494 1630 921 1867 1962 1386 2419 2682 3082 1698 1601 770 3089 1880 970 1676 1786 640 466 1736 1903 1856 1368 1615 1471 1968 2257 1698 2284 1996 2076 959 2331 1521 1512 2229 2182 2948 2197 2226 1683 2558 928 1493 1313 1125 1441 2750 673 1446 1338 1524 1582 2165 1893 2351 2191 1971 1143 798 1603 1848 1490 2949 1369 1318 1297 1152 1674 1371 1688 1172 1517 808 1201 1470 2488 304 2663 1739 2184 940 1579 1512 1897 2746 1989 1408 1289 952 1531 1585 3250 2073 1112 2073 2232 1043 2233 1341 812 1177 1377 1048 2374 2688 3148 2509 1296 pimelic acid 1175 973 2690 2733 3788 1990 1965 1616 1397 982 962 932 1775 1269 1325 1207 739 1422 1552 1899 2016 659 2005 2772 1900 1722 2406 1773 1537 2398 1745 473 1648 1624 1318 1875 966 1331 1456 2261 1725 1690 2075 1796 1561 1585 1113 2359 1688 2066 1125 1897 1872 1262 2095 1611 1004 1350 1078 1851 1376 1648 1087 1326 2430 1655 1770 1199 777 1668 2130 1770 1487 1001 1429 1556 958 962 1091 1117 1131 780 1264 2192 1083 2256 1317 1700 1514 1173 1972 954 1284 1949 1179 1144 1259 1358 1128 1651 2023 1112 1555 876 1018 1168 1868 1099 1157 466 1649 2151 1396 761 1360 1063 1292 1331 1918 1225 1369 1109 1344 1736 2299 1582 1103 1210 644 1111 1071 950 905 578 1885 1914 1561 1492 2278 1360 1429 1655 957 1541 1322 1575 1632 2288 1340 997 1351 1038 1438 2594 1078 1546 1920 1549 1618 813 921 978 1521 1422 1536 1336 2823 2835 1608 2115 1038 1597 1338 1790 2505 1720 1895 985 1435 1363 1367 1273 1761 1289 1686 1460 1257 2390 1274 1928 1531 1890 1877 480 1329 2396 1562 1914 903 1109 1194 838 1035 2419 901 1238 956 1755 848 856 1497 1014 1089 1613 1445 869 1495 2087 1470 2812 phosphate 50692 4823 14724 8088 5317 10541 8941 329 6586 13726 6545 5210 12645 53675 9617 5990 13156 5746 11728 10034 57793 12854 33644 91461 6096 973 2185 23021 5715 6277 8370 1340 6000 20201 4385 6058 4932 9768 9018 7545 7587 5301 3086 31886 7672 7985 5968 14555 10863 16258 12212 6490 6574 9675 11187 37448 4946 6281 5478 5186 37097 21622 3906 17688 4614 5661 8472 5938 11997 2888 11389 16703 7256 11207 12472 4078 3989 4009 7173 13050 12241 6779 17430 15433 5236 5073 7209 13403 6765 9738 4389 9998 2299 15737 6707 6218 6874 21562 9573 7867 2778 15082 10630 15410 7124 4517 35960 3177 6885 65990 10173 13928 12254 3180 8078 4606 5996 1434 5125 14165 17191 6461 22283 1891 7001 5009 8790 10458 81658 12160 9182 3424 7384 6477 14950 12418 2840 9854 18687 16990 5009 6433 21180 12447 4095 18220 18746 6576 6506 18404 14885 4569 12637 5498 6196 9384 269 7010 10823 4385 11144 19616 16517 17963 14771 7715 7958 23950 5069 10440 9610 26492 10420 2705 25599 78104 7281 156 8446 167 69145 6716 3188 15276 24481 7924 1675 11393 5719 5926 10499 12318 8155 12299 6018 196 2801 8140 14365 14041 10504 4924 5967 5696 10189 3931 35370 7914 7953 9580 6580 11448 9669 2163 25945 6687 7758 19699 2575 17617 phenylethylamine 958 658 770 299 963 2628 2196 4335 2584 1876 1755 2086 251 1399 619 1294 1202 1141 1548 2734 779 1157 1986 872 773 655 811 938 588 779 1138 1063 743 1343 1016 961 1444 583 2116 727 519 661 2843 2104 336 224 2189 1468 1198 1387 1434 683 1124 271 803 922 1102 788 1654 867 1164 2121 2386 808 1664 4961 4472 818 1236 977 288 1123 1270 2292 348 1164 2356 1460 1006 2042 1515 981 2920 8866 2750 841 443 1893 2545 4708 1026 226 180 2041 3318 2555 395 342 2133 277 2236 388 1232 1228 1385 1631 1128 1934 945 679 882 189 1172 2712 222 1396 1157 2090 1880 418 631 1641 184 2772 1419 942 926 2358 1711 1027 562 1884 1827 266 523 3568 852 5036 5263 3666 841 2198 1296 782 1164 238 310 2300 2278 2836 1458 4080 539 811 271 644 1367 1939 363 71 712 934 2695 1559 415 1044 1633 775 500 2101 732 780 1983 3227 890 809 2482 1219 457 1224 763 924 363 2547 265 584 4976 1903 2749 890 1865 1833 933 1898 736 648 1642 1821 1846 1280 1265 262 1731 368 1979 337 753 264 1144 1457 1699 989 1166 1003 1140 1660 526 154 2776 221 phenylalanine 50680 41125 44745 51080 41298 44923 60760 60299 49142 40385 53871 56278 47174 37934 52344 66256 52668 48653 52073 53446 49818 44385 50912 57031 33662 47396 42415 53244 42054 48877 60595 52695 51977 40446 56107 39692 48793 45521 50125 53133 44784 46529 56835 58522 45886 56890 54930 43844 45662 38540 52844 54292 41598 37782 54323 53936 55746 33360 43326 48191 53502 56069 55303 39550 45724 44697 43451 40135 49151 53568 46479 46011 52677 41131 43271 50794 61284 47579 38635 43721 48156 46609 62556 71398 47034 42513 51843 53045 50353 53765 40989 44001 51015 56102 64518 43515 43290 46314 45089 63982 48403 58502 51714 73423 45851 40619 52410 43104 54174 29084 32683 42226 52992 51391 44105 51987 60030 52335 51974 54604 50628 50238 43121 59228 47259 40964 44152 58446 41150 39391 50059 52023 42639 73446 38894 45071 63146 103919 53626 32800 51908 47753 46459 56903 41792 51046 53417 51698 63043 49571 51746 84528 54530 53050 50996 56189 55703 37171 39052 24067 36111 49455 35427 40473 49213 50737 58319 46088 46273 43477 48508 55020 52425 47251 53605 43087 53718 56713 49693 51148 52174 50182 41054 44342 32477 47137 86386 42766 70066 41628 36306 45485 41033 53448 55505 50867 48655 63341 60139 53108 40625 53834 52860 69361 44956 35997 49466 46870 38414 49479 29584 52707 47151 51508 34035 49782 46813 51126 56995 24528 phenol 14079 22962 16769 17408 18313 15746 17710 15585 14754 20160 17750 5101 10843 35463 17651 20795 16218 18246 16460 12881 5109 17529 4024 16747 27757 9959 23316 7951 19571 20798 21309 9997 6327 30369 17568 5440 5152 14432 18783 16039 2188 19950 5429 21233 17723 20087 10403 26921 3509 15724 20701 27456 30931 24043 14372 7976 17606 19067 17010 22835 12206 5964 5184 25416 20232 17083 18279 18813 15744 16740 22301 31136 7608 10192 12654 6555 4619 12778 17594 18220 30154 25930 20322 26979 20663 26093 17843 17852 16167 15075 12356 8260 16720 23933 18289 13655 10030 33256 7103 15079 13551 7317 13444 19185 7861 21456 6172 4331 6642 26620 34261 15118 16764 21829 18629 14308 10765 21509 18474 16832 19205 15907 25479 7694 15341 25115 7996 13375 7030 16395 13607 14609 8480 14836 9423 19398 25211 13395 22768 19643 20994 19460 7610 13447 21371 10743 14477 21742 20665 16020 20956 5798 17105 15477 7017 9774 11137 15445 17653 8475 17008 22070 64906 7173 14621 13147 16232 20045 18338 9597 18309 6744 13225 16859 31188 13907 14041 6868 25877 8307 21084 9303 8308 19691 18093 20234 3792 19136 19276 10424 16371 20564 18158 33913 19728 19724 6968 24555 11114 19970 7803 14244 19595 18767 18143 28731 9967 22203 20371 7980 12588 20320 7734 9833 20582 11693 10851 25469 23360 59304 pelargonic acid 21692 28695 25779 25719 30109 32711 37731 38050 16217 28401 18644 15474 32948 25181 20155 25712 39771 23079 18132 23251 31201 12142 42581 31872 30610 34808 25244 24104 17056 31016 13366 34435 14452 38531 27173 34732 19775 16007 19247 17781 17754 21718 20008 29717 16033 33696 15583 34748 23062 21918 29365 21860 22260 24502 20415 20090 30753 36218 40357 33112 26202 14772 31586 31971 20224 20371 26716 26009 16121 18226 14085 14379 32692 34941 21186 24798 28427 23249 23851 22590 22302 27730 27185 9471 16775 43923 40861 30176 28881 31236 16722 27507 22021 28233 18222 16671 39724 27927 36480 24587 17552 20824 14310 14067 16465 29770 29595 15980 21766 19292 3911 26498 15729 26828 33382 33106 20083 39795 36980 27141 39339 35413 26151 23406 22191 20543 19558 16526 26253 16384 41016 16122 22638 29892 22014 30863 29471 16523 54881 34762 36244 19380 26360 34267 16094 36215 29290 26342 33461 13546 19245 19196 25851 37644 15979 20657 27008 29628 16773 9934 45875 34481 42484 20672 25641 19184 24614 28291 24923 30691 33066 22905 27516 27035 44074 26677 22685 13246 31953 18085 30551 16092 27588 36067 22399 23859 28231 16693 26688 21712 42845 29850 27111 24846 21972 26301 21092 17070 26243 23195 26582 28922 34046 41357 23770 38551 26909 24196 21428 35735 31144 23787 16912 33423 33979 20057 11790 26900 26648 22826 pantothenic acid 928 642 1386 671 613 546 426 1130 620 181 1053 1094 603 864 758 1053 216 995 1101 1314 591 914 442 807 113 1339 1065 584 523 397 728 1226 678 820 1233 1518 1401 607 1019 749 849 708 924 370 400 857 1080 381 473 535 502 1224 871 182 881 878 960 1170 1413 220 855 1287 1277 1270 1096 1391 1231 562 952 1086 902 505 569 1154 531 258 1614 854 707 83 812 1100 964 1031 555 1364 2199 1059 331 1147 2067 1210 1538 946 1446 1293 1852 2203 1095 1219 1083 480 726 942 1112 141 51 409 1048 541 555 932 1508 682 1064 903 552 560 839 1544 972 79 649 654 1256 711 526 1084 645 649 872 1283 1096 1456 349 465 590 384 1853 671 621 650 531 1318 558 1130 1426 1039 915 652 897 205 1428 1574 429 1251 497 555 407 624 722 492 666 706 1784 1289 130 732 644 1188 1155 1209 1125 685 1213 581 902 582 1509 1217 1308 571 85 502 496 806 1148 641 422 1030 606 1807 713 1423 668 1337 1117 1907 420 364 516 1221 968 1070 793 788 775 763 842 809 634 554 690 695 627 699 615 912 1081 792 palmitoleic acid 484 921 525 246 271 502 599 779 831 306 154 238 811 746 634 488 627 447 535 362 859 742 799 912 502 553 461 710 381 872 309 521 1232 351 188 646 245 345 250 460 639 558 405 419 812 438 345 923 413 456 416 555 1126 686 249 171 437 197 506 450 199 448 512 227 732 167 243 219 229 268 307 512 376 223 376 535 291 839 306 336 468 470 264 760 233 557 517 728 242 515 742 458 385 823 882 506 948 429 486 630 589 460 449 507 528 577 608 406 175 497 872 528 255 340 339 612 575 517 268 298 56 241 512 430 726 341 457 383 458 846 292 243 419 68 234 596 444 181 488 275 962 477 377 510 410 605 568 331 273 253 473 275 430 629 568 84 698 865 322 226 479 402 672 652 443 364 277 240 467 682 302 481 267 584 682 562 206 528 363 495 375 564 187 764 747 402 464 536 719 519 892 428 469 917 457 1031 396 284 182 274 360 350 360 399 132 655 410 723 224 452 717 589 348 956 185 265 280 203 560 623 palmitic acid 71097 54602 57624 72602 51691 79490 61863 58228 78572 62723 36831 50682 68776 80648 70256 109904 79006 62092 77799 71388 84655 74478 86440 95880 71161 66217 59398 118344 62706 50647 80204 60120 56949 85260 40521 64238 42877 76723 39123 62943 64832 59269 50974 76705 51150 85429 56355 88373 52802 71106 89129 75049 98620 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85933 oxoproline 536999 445264 505332 413594 459824 622085 567599 583843 616735 497836 357432 385954 431488 593505 472653 483758 657215 480203 589432 502434 501256 467661 544979 532554 539732 570446 382963 486105 409480 469317 501447 516370 431918 593936 475665 589127 369620 315434 354133 420878 400703 419566 461145 539244 492564 490068 477141 668042 475184 451290 511342 455989 503845 477185 470022 447523 438001 441865 529274 509257 60772 546004 567056 373613 512843 449537 455865 426834 579967 419567 410712 498861 481636 431475 383318 406301 528972 409638 387193 430500 454528 458599 544403 606915 434373 480367 440523 479804 481418 615905 503220 379818 265360 506630 635308 516967 515790 404344 686764 456440 553098 445714 630209 548974 415221 388696 560174 462737 415719 486653 715033 225550 453409 446903 425354 444252 526476 427454 566122 399164 427503 547513 463521 415070 551072 441948 460850 428311 476921 463329 422132 446144 444218 428541 466416 511706 394773 660659 663138 529657 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983 665 1225 1060 902 1278 831 956 938 928 814 1032 836 1070 1246 1148 814 2252 801 963 661 779 589 1447 1400 770 738 1018 849 1783 9685 1472 870 1123 1113 1283 1815 869 1254 724 695 680 739 1121 787 1053 867 728 1342 464 725 768 308 688 1271 1714 919 1292 838 813 1130 759 821 1848 1160 616 972 1120 925 1105 856 886 1130 1429 1930 951 1111 1773 943 1414 998 1041 1333 1183 1268 1036 1450 939 1303 839 857 1194 785 1062 1572 970 1014 574 824 1081 956 902 1001 1688 1344 825 1572 886 1467 764 1040 1335 1192 825 739 815 952 996 773 1400 930 748 1042 662 1065 1255 1089 1493 951 1519 1591 565 865 1573 1210 559 1506 1782 1036 1175 1401 1784 1359 907 886 1053 2503 1308 1408 802 878 744 1245 444 1034 1078 1111 1368 1179 1027 1065 784 679 1164 732 417 633 1179 866 1108 977 1023 644 627 1535 914 854 1393 1407 1361 708 1433 1060 1457 1080 797 1072 1084 751 857 1170 1044 957 980 627 869 659 1921 276 808 739 2655 943 840 myristic acid 3681 2956 3014 4176 3060 5399 3399 4000 4362 5029 1783 2755 3842 4522 3358 4406 4384 3797 3988 4007 4800 3403 4988 5408 3136 3374 3372 5416 3809 2978 4726 3494 3975 5308 2200 3911 1872 3894 1686 4218 3793 2918 3171 5113 2672 4519 3264 6070 3211 3760 4924 4211 5446 3526 3222 3145 2505 3435 2843 4442 2793 4927 3818 3575 3814 3263 3015 4041 3756 3164 4100 3719 2523 4451 3155 2506 3772 3344 3518 4218 3107 4327 3870 4170 2435 4288 4438 3099 3059 3365 4445 2841 3781 4710 2954 3482 3697 3910 4039 3926 4318 3012 3643 3329 3490 2594 4265 3370 2546 3262 4747 4541 4305 2652 3546 4483 3802 3565 3789 3976 3885 3641 4417 3070 3695 3316 5408 3195 3892 2739 3814 2477 3373 3749 3875 3266 3906 3429 5205 2617 3606 4066 5456 4215 2649 5075 4674 2756 2684 3777 3509 2429 3905 4395 3114 3026 3783 4797 4290 2233 4021 3141 4010 3426 4812 2551 3617 3142 3683 4116 3169 5219 2977 3096 5184 3405 2363 4868 3720 5837 4167 3626 2930 4573 4192 2964 3644 3554 3440 2252 4642 3912 2467 4688 5041 6788 2591 4083 4465 3999 3832 3750 2592 4261 2928 3735 5526 4218 3656 2990 3555 2565 2819 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464 417 350 369 2012 578 866 953 720 450 632 1009 575 758 738 523 813 1020 1116 694 1164 937 445 1200 829 627 718 684 566 617 255 888 543 467 1213 352 1773 4411 998 1012 569 361 1055 1200 943 642 303 810 960 809 860 506 962 656 550 657 529 494 525 1234 920 665 680 1276 1297 582 1970 751 485 994 702 1657 malic acid 13138 18158 13638 15904 10680 6194 9518 21927 22516 12629 20913 14764 14272 13745 17027 9989 13982 15579 11924 7219 13849 18468 12510 14258 12874 8779 10137 12973 13118 14701 20705 24522 11930 18077 6215 9361 13488 9042 20235 13156 10714 11816 8533 8700 12077 12629 8818 13276 18636 30551 13213 17674 10942 11903 11093 17031 9197 14899 9889 17393 8674 11525 8263 17918 14960 19072 33705 12413 9991 15736 38049 9258 13831 9796 7542 15155 12267 16692 7446 7538 17838 30290 15051 36163 23861 27087 16746 7278 17472 9283 13468 9028 17489 21378 16257 29534 7162 12255 8518 14039 16998 9258 7700 14285 10970 15554 9874 15685 10506 5888 16449 16315 12922 15842 9354 14065 20644 11187 21311 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122370 17645 150926 125374 147618 97655 110505 50364 98707 97672 154971 47839 36149 143351 174801 115720 43414 76452 69621 68731 66088 53755 97604 128821 68756 115383 107138 83812 202973 102652 182277 120682 132201 194819 104316 121207 160990 200980 122011 182833 116165 84364 46859 72754 58174 95362 58053 100414 90654 140948 110181 80741 88249 103399 176411 71599 193867 91181 204191 50931 138468 107932 97171 87026 76674 126830 123584 87298 103536 82767 196774 72949 115855 41885 110332 75788 141654 61482 37926 63067 107227 156321 92394 133477 48168 104997 148111 154776 131865 172061 38035 91315 103939 61351 60267 142732 73077 59118 202071 89009 140473 88290 99339 55869 99340 74898 83041 62387 126576 75845 79191 143350 108655 142018 161346 92273 119966 76248 110905 62461 74153 111554 83187 149044 81473 89315 85708 28491 71241 78603 55877 110104 131459 158093 221740 161376 121828 70276 100675 184297 119111 158335 54824 40940 82458 69214 150098 52708 110500 102803 129575 74931 66688 123428 76421 70873 67156 86086 6344 95735 73489 99228 168529 37795 121881 91942 104699 107018 102719 101076 104651 104837 130688 104434 60415 111857 92075 89664 85952 81000 97014 89664 68058 67015 87742 113256 96175 28813 linoleic acid 1656 1418 2647 1723 1481 2198 780 1714 2014 1777 386 466 475 1384 973 1767 1015 1481 1821 2027 1710 2395 3048 7863 1142 868 579 1675 718 1085 1688 811 2171 1372 994 634 189 1923 714 1016 1465 420 1783 2258 426 2210 128 1989 798 1407 1097 1753 989 1219 2101 1034 787 1490 934 1012 880 1401 315 715 2227 909 631 1165 1741 1607 1270 2315 779 1163 1311 971 1049 938 1176 2993 1325 1567 741 1396 530 969 529 1446 1207 979 2944 1977 1383 1723 2034 1636 2390 1010 2025 530 1726 1596 1441 1622 951 916 2412 262 519 1719 1021 1062 1183 618 2292 1847 1381 1173 268 1088 1040 1133 1031 1073 1636 1594 2290 807 829 2187 1168 749 1333 1851 2403 1264 1140 830 814 1037 858 2061 298 1187 863 1327 1433 313 635 448 734 1099 1772 1483 1329 1628 1194 1168 1004 1121 1305 542 1495 1959 2297 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273752 278041 330065 346738 168825 193220 145623 234831 393987 243053 234217 305224 308756 337217 306337 191053 238490 197037 326516 258325 331362 222495 473958 254347 209523 306664 387137 214787 165429 229549 335127 482434 416122 390758 231384 358770 214757 296304 318679 235904 236225 219770 263780 573754 356759 321199 357667 476740 341189 239332 343217 339480 219512 341741 85868 306236 386367 317367 296701 302947 327071 348230 267053 228332 289612 235583 311258 276420 201198 137799 301667 393130 291984 309901 344913 302308 177827 208794 193951 215561 239671 309454 202890 297138 269886 136294 259283 243076 230131 231815 132498 294750 303125 280289 229531 190979 203593 218491 221966 226660 154765 180828 185113 194379 325701 162474 339860 321253 229406 182768 299692 321237 198961 323855 160263 lauric acid 8767 6540 4053 7657 9589 5657 8549 5191 9329 7017 2937 1786 4913 9911 4982 10159 7562 4843 7270 6686 9136 3012 8803 8902 5999 5084 4405 7775 4799 5691 7741 9303 2540 8879 5709 7102 3272 2190 2645 6525 4775 3406 4387 9682 6601 7078 4482 10343 7715 7687 9088 6909 11252 6928 7408 4797 5300 2871 3606 4799 3632 6329 3056 3288 8238 3785 4608 4959 7444 4805 4253 7948 5638 4936 6330 5582 7269 4414 3854 7558 7736 2809 8076 6007 5401 7614 7058 6174 5702 8810 9078 4529 10058 12465 7000 8842 5047 6616 8742 3233 8199 4528 6148 5812 8397 5739 6856 4674 3667 7262 11318 6877 7868 4398 4437 7114 6486 5234 7544 5873 6269 5653 4350 4430 8353 5921 9174 6996 1971 1548 5030 2911 6086 7192 4109 8765 9154 5039 6194 4789 4690 8795 8457 6639 3527 6235 6075 5389 4643 6716 7135 3811 8277 9887 3110 6094 6581 9920 6675 4558 7030 2420 7798 7115 6635 5425 5998 5141 4954 7475 6345 7190 1642 7034 8285 5829 2805 6361 3553 3930 5859 7692 3148 5982 3066 6507 7422 6107 6536 3833 7176 5648 6774 8250 4598 11013 4830 7089 5071 9911 7300 5558 7555 7703 2826 5765 7060 5627 4512 9613 4286 6378 4418 5138 6558 5601 5475 7920 5484 5413 lactic acid 1319960 2042371 1705142 1383246 1636271 1132859 1404553 1542549 1028978 1975401 1690507 1431849 1381941 1250982 1568354 1638029 1127956 1931046 1206732 925612 1510057 1503561 1260196 1271308 1899261 1513424 2076716 1585625 1994842 1943418 1676604 1620842 1372864 2284348 1476314 1379296 1461957 1418364 1679118 1393244 1227712 2094967 1473478 1521392 1745546 1494076 1625466 1129855 1690123 1148238 1725111 1521974 1773902 1708350 1563062 1618225 1469630 1416438 1400827 1395109 1171335 1293666 892258 1813206 1541829 1369663 1599804 1948016 1362213 1481704 1551423 1022490 2109405 1837800 986825 1844373 1552832 1800012 1855627 1341091 1586050 1591639 1614136 1223592 1880884 1555776 1202779 1463418 1319861 1132299 808568 2066007 1647515 183830 1573617 1666405 1764139 941525 1225574 1227509 1397525 1685384 873643 1603967 1759340 2527747 1211345 1782316 1796351 1853027 1421098 1867452 1463887 1620715 1760819 952840 1428405 1694428 1288338 660827 1461732 1550638 1810068 1905631 1494752 1795827 1466472 970587 1768972 2131405 1111830 1368277 1856649 1132909 1711421 1725502 1827406 965347 1294903 1615140 1483810 1686852 1196415 992566 1931047 540864 1005160 2271113 1451586 1236786 1833956 1149734 1181199 1286660 1929156 1858373 1820225 1388680 1380595 615661 1591979 1671252 1417624 1339234 1093659 1418384 1018972 1916307 1896944 1686550 1476348 998085 1467684 1088482 2053668 2067163 1834548 1679252 1563427 1365420 1712650 2007987 2135664 1694734 1254414 1868485 1595304 1308632 1210430 1761314 1182751 1125078 1637452 846034 1673600 1875918 1444441 1360348 1108431 1657849 2278350 1127954 1677967 1306966 1864815 1556617 1450154 1510951 2100846 1846847 2370440 1440202 1595602 1712381 1914954 1723010 1961441 1584551 1923755 2016003 lactamide 2260 2210 1592 1693 2619 1567 2022 2006 2348 2845 3129 2199 1730 1684 2008 3133 2142 2060 2361 1637 1869 2020 1475 1499 3424 1701 2953 1824 1322 2716 1876 2292 1612 1124 1975 2216 2287 1872 2559 1836 1706 1473 1919 2019 1951 1639 2300 2231 2176 2301 2360 1854 3183 1766 2618 2698 728 1645 1995 1821 1524 1360 1628 2233 3102 1834 1535 1205 2045 1649 2032 1931 2890 2788 1679 2482 1991 2483 2316 2389 2404 1983 2142 1964 2741 1588 1646 2194 1927 2074 1755 2427 2290 3721 1974 3154 1851 2745 2349 1810 2661 1995 1895 2411 470 3263 1524 2631 1765 2584 3101 1518 1067 1820 2119 1895 1455 2205 1399 1799 2492 1999 2002 2250 3251 607 1804 510 3028 2777 1550 1963 699 1333 2436 3052 2221 916 1379 2076 2044 2813 2042 1335 3639 1159 1412 3331 1453 2131 2309 1398 1968 2279 2221 2427 2386 3166 1607 824 2132 2836 2397 3174 1450 1783 1674 1316 3280 2169 2263 1366 1630 2096 2697 2536 2530 1830 1948 1684 1573 1254 2478 1695 1711 2362 1634 1739 1713 2966 2177 2226 2593 1366 1857 1568 2337 2181 1473 3094 2025 1824 2457 1536 1708 2261 1666 2076 3202 2389 2225 1906 2261 2670 2284 2199 2618 2629 2872 3039 isothreonic acid 2295 1869 1437 1600 2250 1965 1525 1871 1039 1019 1117 1564 2450 5844 3248 1773 2041 1876 1613 1985 3569 2374 3030 3241 1988 2504 1647 3095 1498 1395 1685 1718 1899 3035 961 2211 809 2108 1147 1982 1550 1377 1499 2955 2165 2073 1014 3188 1827 2008 2132 2530 4224 1410 1369 1732 1916 1447 1160 2084 614 2219 1626 1373 1721 1705 1510 1599 1921 1241 1883 1540 1216 1238 3516 1804 908 1741 1270 2242 3018 1922 1785 2105 1553 2579 1633 3577 719 1288 2021 2521 2089 3403 761 1640 2615 1995 2206 1714 2942 2343 1537 1270 2375 2714 3929 1556 1438 4674 5053 3294 2440 1542 2031 3091 1699 2344 1152 2086 2629 2206 2380 2162 3288 2574 2191 1670 4359 3014 1857 2087 1640 1455 3346 1919 1709 1402 2266 2102 2521 3393 3255 1668 1509 2069 1717 1360 971 2133 2581 1355 2361 2354 1651 1574 1973 3288 2489 1068 2705 2539 3020 2371 1800 1146 1894 1425 2688 1805 2176 2437 2166 2071 2311 3868 2136 3153 1378 2376 1476 2817 2132 2800 4071 2154 1288 1891 1045 465 2133 1964 1506 1862 1839 4279 1141 1626 2046 2803 1667 1508 1741 1967 1259 2562 3115 2316 1233 1986 1783 2345 2094 1838 3079 2759 1619 2051 1963 6063 isoleucine 209832 194175 181486 170425 133133 173464 202970 194804 204600 112828 247495 227705 190076 129735 161260 225617 190109 152299 184544 204839 131760 207251 137484 158614 159198 175254 181938 185169 160718 218101 188816 242125 197170 139128 208804 165631 228481 181028 206698 200554 204840 158068 199648 173565 125595 254240 182758 210271 163191 158743 120862 250336 168407 128407 220789 230230 212295 198056 200401 201061 272379 193959 249018 197622 179176 241545 208546 141200 190188 188957 192817 218856 196478 151880 173137 174567 120866 222824 138912 196538 178307 172271 223268 203309 177403 233573 175154 186489 178481 208740 196806 134121 229576 271231 146994 193759 161858 183997 210951 231356 212254 182707 237750 167830 189074 153078 154812 185083 185984 94077 165550 194839 138415 204671 177238 157841 153064 158747 219215 294591 189470 184475 193728 207334 217398 181595 127465 278592 189293 187001 224590 264908 147493 169279 165486 196292 201262 227997 219281 146122 156881 162906 221299 238768 170656 271778 212987 155708 249529 206590 164133 191556 189520 206251 155112 174307 169977 167213 219512 93338 200627 173638 192749 162901 205801 175706 190222 207325 178700 158070 191507 167410 135996 160635 171233 160974 208461 152501 204372 173564 191600 169589 181222 191257 157527 157280 194437 170397 160971 159364 177759 263754 151379 241960 202303 146415 165561 243658 190051 206634 141394 170520 184549 213664 154482 162879 156122 199683 187916 210208 138535 234419 222305 201665 166257 181531 155910 190449 179854 177162 isohexonic acid 570 1292 739 1192 1128 718 881 661 989 559 791 739 775 491 1336 679 847 661 738 948 618 1001 870 845 798 843 829 203 821 729 1092 325 879 1144 617 861 593 571 949 995 1002 821 682 803 887 1070 606 1133 1240 1802 1158 2005 1148 1039 1022 904 819 1057 678 1209 464 657 838 771 1136 1221 1364 732 742 1020 1859 1131 634 599 137 919 619 1070 651 579 287 826 1419 1055 826 1153 1179 1131 740 582 1022 911 755 774 211 855 827 779 580 1130 1106 883 957 616 1583 858 786 817 750 673 1095 1560 707 1018 633 1496 910 1186 1715 919 607 744 1052 613 1084 423 790 872 204 1135 739 909 903 190 1286 747 1233 420 995 964 1453 804 1455 1399 661 1056 1316 573 905 603 1428 750 1018 1022 792 876 348 1296 1300 410 1027 579 901 954 1171 793 822 951 1441 1001 486 726 696 862 1372 571 1258 676 745 693 464 536 1011 618 804 1267 773 1449 773 985 501 1183 1277 828 924 537 1065 943 828 969 1005 685 283 884 713 1179 849 1388 642 1189 781 890 1212 788 892 737 757 806 491 579 isocitric acid 3028 2246 3191 3818 3675 2744 3150 2964 3461 2475 1773 2005 1822 2869 2840 2377 3033 2546 3418 3355 2854 2786 2992 3166 2597 3463 2759 2978 2089 2344 2864 2950 3377 3290 1363 2901 2670 2061 1752 2040 2813 1996 2163 1783 2392 2610 2091 3089 2353 3169 2180 2952 2872 3162 2687 2856 2363 3021 1523 3006 2081 2519 2532 2253 3557 2843 3068 2483 2795 2774 3663 2797 2200 1791 2554 2587 2653 2487 1517 1731 1879 3479 3454 4632 1487 3403 2747 2043 2161 1793 3356 3019 2440 4085 2161 3304 2211 2091 1900 2811 2931 1949 2766 1932 2088 1881 2511 2452 2498 1611 3302 3047 2282 732 2110 3343 2641 2270 3959 2964 2234 2158 2386 2225 3260 2616 2735 1795 1830 2690 3012 1974 2370 2289 2442 2161 1982 1950 3139 2746 2439 2516 2845 3701 2092 3173 5911 3362 1793 2212 2839 2552 1964 2957 1491 2126 2509 1951 3171 1158 2634 2086 2643 2849 2759 2337 2105 2980 3093 3090 2069 2742 3048 2829 2628 2293 2218 2017 3150 2309 1684 1717 2811 2241 2198 2308 2400 3118 2623 2113 2622 2893 2191 2737 2818 1001 2947 2298 1449 2400 2708 3204 1759 2728 1344 3009 2055 3117 1805 2536 2100 2429 2562 1986 2977 2165 1289 2453 2595 1204 inosine 600 3539 104 54 1215 549 178 143 247 370 225 96 533 511 306 69 293 697 171 186 688 2635 926 274 2212 44 39 1363 41 45 62 125 354 376 136 62 19 128 17 2747 1182 1324 74 1059 446 141 71 748 310 247 248 652 569 81 652 337 72 466 79 149 229 167 462 160 374 23 13 69 251 650 163 338 88 70 1776 2342 277 258 220 7419 7066 8325 107 217 123 703 89 108 339 218 188 23 82 74 512 433 376 87 408 133 135 128 5 91 482 268 528 1466 263 136 112 219 172 1332 61 660 122 322 183 325 682 949 813 505 464 448 498 38 425 728 547 199 290 244 986 320 250 212 38 91 277 354 328 37 349 62 323 448 20 22 32 94 47 90 115 118 602 355 431 281 156 78 380 184 174 284 277 184 322 163 164 163 211 125 30 57 84 834 395 393 52 704 468 519 269 42 166 2327 210 45 57 805 307 61 60 93 1018 800 396 1116 220 21 61 132 1391 1147 1881 2075 31 66 302 64 1310 74 285 2711 19241 22 1204 1660 indoxyl sulfate 7168 993 975 1197 3709 2035 2174 3913 6381 1202 4622 8259 1077 4108 5326 3626 907 2217 4081 885 2624 4661 766 3116 1105 2814 3085 2373 1174 1403 812 6236 2404 1056 3751 3956 1214 696 2097 1072 1098 1061 2760 871 724 955 1281 1394 1045 1271 1674 1608 2468 1709 2088 2440 4376 1642 2284 2607 1764 4093 849 2109 2708 1664 2536 4178 3841 1028 1231 2390 6346 2996 987 3208 1409 3497 1432 1738 1813 1574 839 1130 9119 2181 1989 2208 2032 2477 3011 3308 17859 2660 1702 4133 3434 2569 2197 1545 4393 788 2171 1242 3247 1163 2038 1911 8013 1643 2896 1926 7621 8569 794 1170 1459 2633 1006 2384 1543 6194 1017 2030 2513 3266 610 3076 1145 1549 2062 8817 5742 1093 1215 2393 1530 1555 2847 7352 1465 1935 1487 1917 1577 1197 408 1765 2474 3491 1898 2244 2806 2298 577 2149 914 2080 1579 637 1210 1353 1177 1304 2926 13539 1806 989 3047 2116 1315 778 6082 9222 1679 1598 606 1357 2557 4060 1224 2548 5503 1238 572 1789 1122 872 2901 6857 3799 2320 1685 1562 1771 2587 3147 3166 886 1950 1591 1647 7043 2548 3315 1348 1967 1133 2805 2647 689 1187 3204 2000 697 1459 6686 1793 3668 802 indole-3-propionic acid 9847 2791 5675 4545 4162 2297 6556 5960 2744 3432 9027 8821 4460 18521 15776 6725 3735 5271 10383 6984 6775 6893 6238 3978 2683 4159 6027 4263 3864 4650 4879 5133 8163 5668 2398 4478 6119 4166 5713 6919 5408 1002 5056 4686 1600 4518 7069 8654 5679 5987 5187 7831 4774 6353 5373 5401 5503 6590 5255 6598 7860 8109 4808 8716 8853 7394 8197 5361 6332 6592 4440 2130 5635 6869 2615 3099 3626 1302 4444 6069 4729 7700 5871 7481 5548 5832 4201 3268 6130 7560 6540 6618 7837 4326 2264 5352 4801 4396 2145 6384 5063 427 1903 1200 3202 3101 6210 3932 8049 5951 4025 5944 6999 6194 5980 6526 5021 4273 7174 8922 5339 7593 2944 5078 5803 3428 6608 7032 5574 2889 13914 9191 8753 10260 6294 6246 4173 11318 6659 3215 3737 6393 3675 5843 3508 3550 4346 6385 4843 6371 5113 4184 3690 2801 2399 5518 3127 5410 7559 2738 7222 1568 5433 5104 7371 9388 7525 7854 5982 11979 2647 5447 6078 7467 6441 4178 2972 3182 8555 4056 2986 5352 3242 8116 3001 1521 5086 4453 3417 2671 5486 8267 4515 2280 9659 4582 6605 8710 3909 5814 4929 3527 5533 5445 5600 4140 2682 4418 5023 5028 3376 3694 3677 3022 4383 2384 7620 8294 7717 5816 indole-3-lactate 6428 1372 1753 2402 2491 4275 4536 2964 5583 4738 4093 5280 3401 3943 3579 5644 4541 5531 3477 4562 3572 3260 2575 3751 2145 2415 5815 4101 2959 2432 2001 2910 2469 3294 4124 3315 3418 2977 5378 4027 3879 2833 2453 1650 1593 4015 4297 4592 2272 2599 1718 4476 2975 3452 3948 4470 3645 3568 2882 5753 4514 3649 4024 5046 4041 6118 8274 4373 4353 4168 3772 4581 3575 5126 3416 1934 3826 2534 2665 5119 2561 3367 3803 4175 2777 3148 5850 2145 4719 3451 4443 5176 4498 4244 4224 3302 6378 7363 3364 3377 3667 3833 4763 2402 2318 2868 2897 1883 5582 3382 4066 4959 5827 3478 4160 3787 2860 3439 5457 4573 4510 4658 2833 2651 3005 2421 3365 3876 2557 2281 7694 5528 4970 7395 3485 1973 1353 7687 6461 2630 3640 3209 1821 3851 2852 4032 4398 3816 3077 3442 2286 2178 5329 5662 2200 5202 1463 3554 4543 2599 4495 3409 5157 2799 6740 4695 2920 4222 3833 7334 2865 4978 5500 3715 4336 3310 1837 1475 7732 4088 2931 3868 2893 3650 3315 2203 4085 2453 3307 5504 3962 6191 3479 4209 5526 5166 4161 5550 3150 2953 2447 4825 4160 5798 3822 3583 3145 2927 4175 2863 2702 1970 1763 1780 2994 1692 4338 5613 3948 3490 indole-3-acetate 9355 1553 7179 2388 1974 8700 5576 2538 5185 5344 2501 4653 1567 6813 3760 3917 6257 4089 5718 5754 5054 1777 3056 6284 1182 4478 2708 5060 1719 2201 1789 2874 2243 6389 3604 5050 4376 4070 3902 2767 1721 1428 2546 2814 1793 3126 4811 4150 3319 3173 2148 2759 2592 2730 2553 4157 6502 4007 3159 6582 3807 6123 3099 4199 3348 4378 3224 4564 4959 2386 3282 7451 4038 4304 3688 1641 3438 2451 2467 8233 2970 2695 2132 4406 2851 1736 4561 2580 5480 5214 4948 3179 4926 3965 4062 4137 7470 6889 7165 2913 2280 2482 5436 2844 2616 4071 4490 1561 3364 3477 4534 4849 10487 5137 6580 5794 2855 2015 2864 7575 10329 7786 3423 1479 1777 2530 5451 6631 5499 1639 4128 5255 4572 8537 3416 2172 2151 4604 8826 3912 2703 2149 3102 3487 3106 6721 6433 1600 4205 5424 2593 1849 9168 4293 2192 4434 1268 3889 3185 3472 3512 2987 5471 3131 7116 4422 5799 1731 3187 4618 4270 12272 7018 3867 2268 2980 1242 3629 3477 6664 5141 2225 1743 2223 6626 1960 4594 1405 1994 3783 3256 3315 1806 4590 5679 23547 2697 3545 4099 2035 3039 3109 3795 6043 3263 1768 4596 1213 4511 2764 1282 2773 1880 1476 2041 1838 3394 3498 3179 6230 hydroxylamine 727905 567695 591343 515858 767549 597524 605740 266584 604846 598119 575064 640437 737304 741439 797293 715960 629987 595077 685530 583502 546428 583129 569663 515075 662128 893514 799145 489736 554148 379722 379984 548481 717757 408389 785235 716094 496287 740886 644464 516261 721175 713812 389534 519371 520450 702115 824127 769407 586881 666467 723093 568553 728909 722680 590391 665166 508204 665838 721049 598168 689656 526355 753832 721632 587646 658477 503560 713877 683056 697982 630756 711735 739058 531084 553779 683005 851575 744107 620372 829664 622954 695585 782851 579013 664701 553186 632141 785822 613339 673829 842229 754834 1020808 786708 507896 568176 727795 737202 745864 592397 618711 696494 657289 617540 769288 566208 470985 779608 663661 547042 755516 561356 521427 488308 683775 668605 751344 414911 594589 802763 628404 701403 623057 688728 714256 685724 637589 751601 720890 688712 814651 732804 779239 597282 819086 805722 941676 609367 755967 987022 714806 601183 750524 636494 543290 743731 588283 333870 621804 721326 734478 367902 531061 632779 896583 707398 448758 876103 567462 270524 584308 826664 762932 682068 780394 609694 613719 601110 754666 824965 819159 630511 610714 692940 612205 541869 584363 782051 733862 562774 542889 817126 869139 689098 882020 729430 328226 536421 676937 626750 699106 722724 755523 790770 585809 498683 754501 619201 617427 680079 737183 718953 833555 608260 556889 812656 580236 595108 706970 787706 569685 824720 827984 764434 585224 552792 533059 545199 452513 680295 hydroxycarbamate NIST 17399 7769 10091 13220 14711 19236 11053 3771 18482 21428 14562 14842 6679 11699 12813 23569 18922 19339 10468 14924 13448 3201 14682 11433 12164 15652 13424 14521 16079 9488 11770 2755 11336 15561 15286 12351 9921 14368 12467 7943 9259 12840 9453 18738 10916 7668 13244 21138 6224 12866 10776 6463 4169 8674 5769 11238 9822 2943 9950 12172 7676 12126 13780 5957 6079 3143 9724 14268 10930 7958 7810 8386 9911 10245 15516 10463 7942 9686 13305 8905 9879 8594 13787 10695 10373 6602 6671 14006 8981 22871 7668 9028 9001 13944 9094 9206 10688 8309 12291 8757 4157 5335 7479 8988 7480 6876 14634 9349 9140 8851 14247 7023 12514 6239 6104 13023 10095 7126 8483 5196 13117 15474 6783 14459 5947 967 15173 8916 14101 5668 5827 11056 5057 10606 7274 10661 17766 9964 15312 7991 10350 9840 17982 7955 6242 12295 12277 5692 11766 20779 11599 6130 12070 7312 11521 9495 6111 7144 6609 6263 10810 10043 15402 14616 12444 12134 8670 7719 11183 9202 8255 23847 10996 11229 16156 6406 6161 8272 5829 8745 7627 9093 6980 9641 13170 9022 6386 13898 8675 12902 10134 11482 11774 4186 12159 15940 12709 19268 9738 11607 10245 8341 13853 16682 12242 9581 10118 13287 16980 9149 8881 10745 9981 8105 8927 13452 7985 14614 9644 12449 hydrocinnamic acid 6902 6646 7780 6719 6637 3442 10992 8474 7133 6046 7543 8110 7342 6046 8982 10836 5378 3055 11775 11745 9144 10728 6456 3977 6468 4356 6469 7929 6519 9219 9895 7440 6140 11424 6254 5126 5798 1096 7171 6415 7388 6851 14314 8726 5415 6392 891 8298 9400 10951 2955 11036 8841 8754 6863 7870 8064 8306 11052 2869 15054 9034 9099 6215 10874 9552 8290 8079 7689 6365 11961 1257 16091 14319 7937 7342 19133 8776 6730 8880 8821 13861 7638 19481 9165 8862 5660 8235 9460 11342 11782 5050 14526 6579 11553 6675 5230 7746 4841 9788 7386 9539 7938 17690 8461 562 9930 8354 9098 5178 8128 5772 9041 12316 8100 12843 24454 8864 12183 7239 3066 9974 4916 6959 7103 6157 6907 8374 4893 3615 9718 7922 6019 29376 7939 11875 9387 36610 7276 7477 10631 8969 7604 10931 5816 6728 4499 6420 7864 11475 4130 23890 7327 11532 5666 4796 7248 10895 8956 3782 6780 4379 7144 7869 9722 14243 10774 6661 10094 5563 5417 7140 4644 8236 8432 4621 6891 6697 10686 5600 8053 6130 4768 7808 3059 3729 25103 6343 9217 5572 11533 12455 7844 2084 8152 5214 7836 6901 11556 6797 7103 9843 10167 7393 1268 13288 10492 8394 673 8781 6550 9572 9846 7150 7841 7594 10110 6592 12405 7756 hippuric acid 6179 188 292 1828 1011 1626 4486 3700 5086 6389 2574 4464 1988 6773 3802 2545 1073 4416 7902 4059 5311 1798 2871 3362 211 126 466 6802 1995 2285 2950 4264 2021 975 2633 3720 3037 339 317 1413 2021 1883 6785 3723 2123 2777 407 3169 3262 3679 2036 7748 6559 7936 1875 2948 4477 3471 3157 3655 4289 9785 286 5284 4568 6098 3717 3543 3312 3331 3675 592 5408 5622 4098 2510 2188 3049 1623 544 2827 4191 669 2035 5580 2125 3406 2755 3665 4057 4753 7201 2242 3811 2039 3186 3727 3089 2601 3484 5370 1540 2742 2463 2929 328 3854 2672 5337 12349 5508 5879 9723 4850 4188 4396 3007 3519 3019 328 2928 3789 376 3540 5207 7073 4759 5238 4696 1959 4608 5718 7940 3671 2580 822 2233 1240 6502 7628 3454 4599 3151 5255 238 282 175 3287 1209 4494 3119 2654 7608 4974 231 4387 3729 5273 6352 2395 3883 2734 2118 5152 3610 5391 4902 2237 4618 4114 3970 3887 4226 1734 2990 5399 1570 4970 2350 9300 183 5054 3978 4818 382 5150 2239 1542 1345 2041 5581 3797 2222 289 5515 14989 3744 3891 3498 3624 7241 1269 3994 3038 5543 3124 6178 3282 270 3552 2066 2412 2521 2544 2499 1974 9578 3549 8226 5067 hexuronic acid 4175 9126 7378 7365 5828 4959 7910 2868 6415 3905 4521 974 6942 5328 5872 5254 5240 4151 3491 6263 5353 9725 5231 5647 9148 5996 4764 5288 6558 5584 3880 3496 6178 3000 3190 4531 3554 3129 6814 2319 3255 5261 4221 5719 2388 3764 2230 7021 2113 7398 2367 6707 7893 4383 4711 4120 3981 3937 3899 6193 3098 4801 6055 4897 6402 2993 6405 4608 4506 4525 11259 6160 3957 2706 3311 2932 1949 7506 4117 2602 4904 1536 8389 2497 2210 9364 5993 5212 1297 1824 6273 3256 5634 8141 4191 4613 2411 3679 4561 7053 7299 5039 4482 3438 6589 2669 6320 5568 974 2311 7638 5927 4700 4084 4667 9886 4735 6057 8983 5551 3037 5565 4916 6978 2888 2631 6245 4435 1465 8736 3462 5178 5160 4194 4322 5183 5359 3104 5535 1541 6003 6099 11458 7230 7036 5408 8497 6432 3983 4271 7911 5274 7533 7355 2872 2910 2234 6247 7602 2614 5248 1991 4197 5127 6707 5372 486 5327 7018 6740 626 5784 3326 1661 7811 4806 4308 4804 5113 2437 2249 4238 7060 4744 4590 5196 4448 7468 3771 3418 5400 5444 8088 5100 6013 4562 1672 4530 4712 5477 6438 4316 2580 6062 4025 9264 6205 14131 4836 6760 6788 7339 4585 3934 7588 4452 4125 4199 2694 3388 hexose 2199 177 362 479 573 551 599 251 2734 806 290 280 7153 617 487 1605 516 412 2043 346 531 1739 710 376 1761 443 263 567 444 327 569 275 203 470 373 853 124 237 234 420 157 386 404 859 552 118 240 288 518 174 692 234 2299 572 1371 357 444 9724 424 245 627 476 489 8482 1455 231 247 270 1475 169 17171 30 341 569 274 444 507 262 287 1641 1465 259 492 179 430 260 305 297 304 1180 1885 866 203 2036 300 1540 374 225 1971 156 1628 403 43 979 1371 587 654 421 381 1445 2974 455 744 296 182 250 538 696 281 130 168 273 267 288 1872 2093 490 774 1871 428 372 488 471 362 191 1266 466 191 512 519 393 1676 790 201 1510 19945 399 275 322 1290 1847 213 242 1253 423 601 299 27 415 57 480 1855 304 37 274 346 279 4881 1907 799 258 678 58 1966 316 575 302 320 10013 357 303 928 354 221 466 281 340 165 329 385 1987 410 421 168 173 362 383 56 472 1679 338 213 597 449 262 13371 534 228 344 632 179 834 392 208 291 643 69 192 452 309 hexitol 2174 1589 3278 1101 1279 3705 980 1993 3224 2984 2655 1389 1494 2808 781 1854 1962 559 1983 1871 2988 2922 1646 1165 2472 2101 1905 2910 3046 2307 3765 1506 272 3892 1374 1693 2270 650 1657 789 1274 1445 2871 1702 1563 1671 1533 1930 496 1727 2306 1506 2378 2530 2518 1224 2866 2072 2047 3597 2178 2812 1755 1622 2818 1553 1399 1344 2129 1281 1472 3273 1136 1610 1423 2573 1582 1803 1885 2859 2646 3576 1380 599 2696 2913 2278 642 2045 1428 2007 803 1597 3622 1666 1411 1910 2192 2096 2122 2129 1479 2201 1152 1674 2177 2521 1053 1354 1229 1494 86288 3294 1709 1488 2160 952 1613 2058 724 50569 508 1095 1851 2228 313 1445 1800 2006 733 1592 893 1757 69497 1054 1414 1231 1524 997 1984 1078 1045 1974 3160 1300 3568 2402 2127 1834 2088 2197 1086 2121 3824 1463 2009 1951 2635 2482 768 2203 1359 1623 2322 2201 1370 1708 1561 700 1517 1449 2562 1718 1892 1503 1139 1895 2285 1449 1397 1226 1741 485 1573 1688 2023 425 2764 1435 1243 2262 2505 2432 1992 1899 2512 1371 1134 1383 1320 2011 2438 734 4371 3024 2180 1867 1183 1275 1450 1113 2277 1201 2548 1765 343 2049 46794 1588 2093 hexadecane 21323 12890 10557 11964 14979 16608 12026 8952 18205 12942 3720 6850 16990 24405 15907 18762 22076 7500 9069 8391 16730 11675 22232 15127 9551 10031 14988 18432 6136 15568 14040 12269 6810 18282 8695 10299 6189 21271 8176 15024 11285 6467 12353 16116 6684 11697 5366 13922 23549 10827 22911 7664 37153 10911 18251 13470 11520 15521 14126 16373 22588 23463 17725 13129 20935 7488 9692 8793 15560 13940 8362 26519 10149 16882 21179 8941 11416 12369 12084 34569 29041 6829 14421 18335 5527 11640 16402 12931 26264 11590 39262 6379 15517 26022 12002 33186 16233 18468 20354 8825 9429 14226 17088 15333 26617 12683 23237 14864 15046 21498 18694 18796 13200 8037 13162 19481 13520 13152 17608 23421 26020 7635 19564 10059 15517 11602 11420 16695 14246 12290 23685 10776 20699 16284 19725 18006 11711 9728 18549 11189 12576 36766 13820 10363 17424 11983 6851 5551 10924 12685 12609 12783 17416 27315 9031 16171 14136 16654 12015 8282 14015 11453 19093 22974 17092 9612 18894 8628 17150 14195 17338 21919 15300 16555 4943 9913 10095 10470 17720 16384 14060 21813 6458 20789 19977 17499 12447 10976 14752 6231 35785 14592 10132 19823 10095 33655 11214 17382 9779 24513 17629 25289 16127 18987 7051 18758 15399 10075 12596 16452 9249 15205 4485 8843 9985 8430 11906 11415 6555 10076 heptadecanoic acid 6286 4107 4169 6175 3319 8217 5288 6742 4958 2170 3945 4768 7712 6311 6825 2218 7185 7176 6442 7084 8362 2551 9648 9549 6269 4897 4298 7400 5204 4571 6620 6397 5119 9783 3128 5570 4489 6090 3146 6760 6898 3227 4098 5064 4629 7337 4703 10705 4398 7413 3312 6107 6477 4077 5279 4232 3422 5766 5422 6867 5435 6091 2460 4855 6640 5067 5579 6446 6120 3082 6011 6405 4248 4886 5620 5097 5333 4967 4566 7472 5332 4860 7543 7421 4202 5625 5762 4577 5334 4901 7014 5101 9643 7222 5607 6339 5099 6863 6155 6872 6262 5022 5626 3773 3384 4193 7187 5636 5150 3757 6213 6694 9067 4384 5106 6963 2555 4810 6344 6833 0 3923 6141 3641 5419 5192 10950 3621 6981 4305 5057 3906 4555 6920 4701 6088 5388 6964 7748 4677 1831 5472 6908 4659 4574 7225 5955 4363 4417 6454 5037 4691 6521 8455 5179 3108 6554 6140 6502 3598 6519 7193 7525 4788 6610 5204 6572 4128 5683 6295 4286 8064 2479 4499 7599 5016 5107 7984 5127 1448 6142 4061 4102 5883 5687 4061 3294 7194 5054 3673 6301 7086 5413 7377 7071 9548 4862 3398 1256 6937 4495 5275 4807 6131 4192 5872 3678 5528 4484 4628 5300 4870 5182 3772 5998 3628 3878 14908 5722 5406 glycolic acid 13317 22774 18579 2870 26920 20527 21173 16135 19974 18712 13314 14459 21756 14029 20526 16282 17435 17328 14062 16567 13136 13157 16891 8414 11826 25354 18822 14818 17279 22085 2306 19393 9380 11621 20154 20899 12491 8125 14311 11593 15323 15424 17334 20851 20926 14939 20291 22539 21083 24832 17418 16145 16153 20069 11072 13317 15429 16596 21153 17665 9943 7240 17949 27900 15832 13832 9969 8687 13396 14992 9755 13575 25336 18475 12936 17209 31717 19274 14463 11487 15047 14379 23617 10086 18439 9970 8483 29246 9971 25210 19406 18435 26653 18226 27251 16498 27922 21289 20456 16015 14069 33238 15871 7761 8266 16169 13516 18625 19896 12484 25659 22329 18557 18888 21160 37223 18642 30896 17353 12088 14240 18658 15451 16872 14332 17775 15082 15790 18820 21636 15048 13728 16188 12817 23403 8929 18987 9315 18067 19722 19183 17441 19541 12177 15183 12134 14009 19050 13014 13994 15308 11492 10692 13703 16908 12713 15673 18747 7058 6759 12252 20008 16871 22584 5411 14034 10866 11643 13466 19992 23847 15236 19816 16639 19296 22348 19026 17392 17911 18959 16131 20398 20179 14359 8086 27848 18675 14936 15702 15003 20044 22625 23343 16395 12559 11581 12902 22177 23503 17068 25566 18371 18512 16453 13109 23305 17906 9830 15564 22796 21791 22000 18155 13165 18014 24510 17363 11621 19360 13308 glycine 159978 139285 144695 233446 180320 140174 150273 147858 126688 164882 97322 112968 151667 280838 225897 176342 162983 147386 157991 287505 127537 150918 167293 111871 134179 161508 149914 145952 122531 143128 155773 130007 195963 142985 133444 148236 140172 180905 105764 188094 140915 191596 139267 170781 176242 218978 126972 213598 231649 247690 144481 209247 200563 210823 157254 124197 154358 159361 178594 169550 147765 129961 187321 104810 142458 135156 98493 133484 141960 132881 165497 144424 115882 142418 280563 134247 186433 107442 145353 163781 162618 134308 137303 272792 145275 228144 192914 212197 132132 154797 178496 144262 148923 213517 200494 137021 143150 196493 156460 203940 220319 136691 163424 160168 171182 145555 157414 224668 130567 134068 226431 210740 117038 147045 157152 301593 287795 172651 191912 144115 174196 156009 186038 156863 146808 204413 156305 120478 104430 164602 164224 118240 202256 222815 202078 163709 175069 168768 141203 151430 200906 136737 148807 203209 127687 121193 177482 106234 118799 153536 138551 204068 184328 128378 172695 139698 147847 183379 153319 86807 155206 154786 100489 135351 140786 128340 250186 142773 179914 127765 145061 122427 190805 150240 140602 185693 143261 130805 115899 149371 111568 152228 130936 205119 191849 164363 167266 243229 241645 138610 135284 183797 148748 181710 120631 109887 172782 205064 178329 204407 136170 193102 125449 213806 141844 152239 145399 132731 132904 156729 127747 164877 140861 154648 205550 184145 167434 116794 142276 171109 glycerol-alpha-phosphate 2197 1179 2421 1585 977 1641 687 373 1486 810 729 336 1268 1241 1219 1100 1269 490 1091 2176 1931 1953 1822 2037 922 575 580 1647 642 839 487 664 440 2576 425 1300 643 887 1253 1135 1522 768 573 2227 1110 1057 943 1181 1324 2294 2414 1226 1829 813 1725 1878 834 895 846 1361 461 2421 751 1250 849 1536 2115 858 2308 1387 1236 1523 934 1498 2192 712 186 882 857 1389 1817 1522 1692 1638 1123 1816 858 1326 688 1557 709 2201 487 3410 894 1174 1496 1278 1495 1843 2610 1258 1479 341 607 1569 1618 383 1200 1201 1752 2419 1793 230 780 645 476 441 1472 1091 1535 754 2047 470 977 777 938 840 3848 680 1587 716 1046 1162 1825 1268 797 835 1147 786 773 2200 1823 1779 989 1440 1087 1255 520 961 1433 458 1701 327 761 1171 626 2209 1222 503 275 597 1163 1971 1124 1094 2103 1642 1392 1457 866 1477 1268 1141 2291 1332 931 1568 1303 2322 1229 972 1066 1291 1712 1389 146 909 489 857 1305 2173 916 1905 1552 2228 639 1595 1582 1799 997 984 341 1098 1126 1794 1487 1702 408 1344 1404 1042 828 923 681 634 1400 1211 749 1077 glycerol-3-galactoside 1651 853 783 556 1249 1545 1760 1811 1811 570 1656 2286 886 1323 1367 1779 660 1064 1910 1087 1023 4046 2099 1045 777 653 1415 859 879 1208 843 407 1354 2297 695 1136 1160 2185 2398 1382 1026 1391 1486 2084 1032 1866 1460 1569 1772 2706 1576 2454 1256 2058 4540 2474 2118 2526 1417 2725 2661 1065 1722 1992 1556 2048 2546 1868 2399 1323 1924 5049 1344 1301 230 326 659 1477 1167 3843 2666 726 1849 272 442 2316 315 2240 672 1028 5489 677 689 2966 1123 2502 1065 2699 2693 1603 2408 1704 2134 1982 1084 1644 1669 1980 1510 1290 1194 265 1748 1779 1142 1455 1359 1172 3545 2244 1676 2209 732 1880 1426 605 2722 3669 911 551 1763 1709 1627 2077 1482 1959 2323 2381 1784 1026 2807 2302 2183 4331 2749 567 1567 1759 1905 1807 3783 1771 1170 2608 1896 1275 1392 1074 3007 679 1183 2307 1923 2925 2550 825 2132 1979 2507 1822 931 1543 1184 2198 1101 991 1360 2191 1321 1770 1305 2875 1059 1165 1220 2008 2260 1661 1843 1478 1172 1521 1181 808 1114 1578 1142 2061 2039 2526 1667 253 1610 1392 1971 2790 1306 2025 1408 1662 677 1482 1295 712 763 1185 1847 1662 1651 1085 glycerol 171539 249167 259708 712106 682166 201657 195271 343749 765277 612969 237258 229127 299443 240280 291175 127537 238179 171361 649833 693279 792662 458523 758818 743919 201393 260285 289572 210048 123955 182197 171914 211011 737152 214389 127161 218596 422798 260438 190641 737588 757020 204913 185786 212358 252391 256436 321007 354846 649511 751957 294756 293039 306977 318870 504688 650492 702415 568411 231016 280167 169958 231193 255293 242297 328826 223911 322204 251019 228818 346006 289989 200675 201752 224211 191835 284073 366996 255914 171491 253417 193894 207784 261287 249262 130316 196930 307062 267175 325976 227247 330196 294915 183661 271495 383449 224618 276027 288262 262853 360661 293037 297900 247514 182408 122975 229072 185224 164581 155266 167919 328031 282036 170724 124442 286509 227393 238775 275271 202652 275215 166197 188818 264600 218405 232037 281206 285876 198186 198885 238289 218131 198666 228116 272121 126143 148895 126135 149048 266582 169222 218652 312700 239924 229593 174839 340472 264860 307188 231808 283628 177174 131445 188016 200327 252119 218983 765529 669010 755035 160742 225372 216825 249966 226666 310291 593638 552927 129195 129528 293338 400099 245956 536412 652716 398816 302097 286714 251518 324347 344924 247335 204747 277453 295643 287243 245855 235154 790345 687239 634326 227391 222303 735528 384795 394762 439124 625021 305010 161435 146413 214149 250851 243701 257036 139062 202422 219809 308698 155368 161035 312597 160201 117624 221950 188631 170445 137401 144969 173069 219764 glyceric acid 12871 9044 11861 12788 3638 9151 7046 15788 6768 14794 5496 5944 8887 8543 6953 8375 12526 7994 5496 5609 9477 3362 12138 11094 6128 7511 8341 14918 6597 7594 8396 6955 4555 7175 6017 5763 4525 10962 6823 7921 7132 6682 9466 6412 6910 2966 5557 8659 5387 9405 8323 10007 7793 14491 4196 6963 7286 7872 6072 9096 6689 10434 8114 8484 2838 649 8850 7340 9092 6253 3772 5753 2770 13371 11043 2360 11401 7255 8497 6657 11207 2283 7142 6949 7085 7934 9497 4656 6464 7841 7370 6125 6778 8412 4417 8149 8296 11164 7482 7933 6364 7091 4186 9845 8258 7922 10973 5598 4362 8317 8867 11312 8851 6299 9657 3378 7308 9402 6897 8255 13527 2832 16720 6704 5123 6347 1666 1584 7848 7607 8078 8014 5382 11274 11017 7092 8426 6340 2799 8627 6372 5623 10097 5794 6108 13403 11620 7103 8421 8804 7370 3454 5015 9190 7043 5996 8790 5062 6400 3609 8201 10191 6719 8374 7747 4263 8013 6447 8808 8486 6829 6085 8968 8617 10899 10041 6433 9607 6445 20471 8143 14082 5514 10471 7234 5176 5957 6801 6869 3489 13218 9087 6017 10422 13082 13025 4249 10111 8281 9688 5786 9001 7575 13032 7950 12659 9705 11546 6427 7494 7694 6627 7832 5054 9490 13265 10437 11615 7216 27284 glutamine 22906 8142 19276 15985 10097 30414 15322 17332 12629 21595 18427 14117 20502 8592 43053 40007 6947 21034 26566 13436 12727 16041 18392 21997 7332 49194 9139 6741 14231 1434 16828 31116 47356 663 24415 27872 18817 23613 9175 9693 12219 39789 26051 14115 6997 19412 28708 10409 3501 7931 12035 5733 13232 15279 15534 16090 6597 14364 11060 8081 28174 36434 8821 19924 19994 14941 5116 24384 23481 20549 17633 46197 16853 10501 6258 23849 10440 17771 11725 24244 17138 28182 6954 9339 17581 12436 11442 8462 20380 6057 51859 14726 7327 11982 11680 8068 17723 16222 23075 15010 16505 35068 15724 34524 13461 13126 17387 9945 22559 4763 1470 9822 23429 15127 16436 29951 14667 19724 7512 15822 7171 25456 13423 40827 13414 11311 24936 8748 15248 11589 18048 6140 23722 12175 21420 7031 16997 19087 9650 4379 34244 13872 12946 17612 13517 25987 19428 9317 26493 5932 16874 20475 5690 12013 16862 24594 12363 14428 6499 6428 7701 18222 3444 18648 16870 27236 18038 17010 16397 9249 21600 50662 13581 17902 6126 6672 11709 20283 29915 5842 17783 15379 31938 12340 15170 14053 11241 5865 8413 7671 747 15297 11009 25951 17352 5814 25667 13298 30125 10713 13507 24948 36143 10403 23402 20835 7729 20332 22029 17252 14165 9088 18909 26089 11176 14306 23567 13820 16381 2247 glutamic acid 2528 2229 4084 1327 1820 4935 8494 1386 1899 12104 1055 986 4289 9144 3982 3072 139 9611 1014 1120 140 3810 8074 27709 1943 1410 1600 6306 4245 3386 4195 1755 1356 134 1712 4420 903 21709 1376 7506 1809 7013 1646 5119 3550 1328 1282 135 112 123 118286 973 2180 8910 4333 1073 1684 1270 2632 3746 771 3983 1469 621 2851 234 1804 2425 2232 1165 966 1536 1354 4898 134 2322 1715 2242 98 342 4857 1610 782 2879 1515 908 775 120 1452 1459 1740 4023 772 4716 2541 885 3162 1111 1786 1706 2549 6704 878 2536 1803 4535 6494 1709 1389 6049 3016 11097 3873 1597 123 141 4721 2381 921 791 138 5198 12089 2381 3020 5413 31390 584 6204 7408 530 944 931 1312 7985 2835 2158 1416 1222 2276 4400 3008 10221 989 1494 1894 1434 1675 1641 4293 2537 3745 278 2205 2415 2052 1423 8397 998 1262 133 121 130 6127 1414 1302 1248 1362 4532 5516 19969 6545 3239 1644 2387 1372 2269 11382 1187 10467 6923 3824 1960 116 7857 4655 1623 752 2360 15698 824 973 5411 141 1007 174 1748 956 2968 3280 10794 4440 10235 57179 3096 4819 6501 2727 3232 4548 2504 3408 1758 2212 128 1394 2776 348 2888 131 glucose-1-phosphate 1747 1934 3014 2226 2096 3324 3835 1859 2338 1969 3257 2135 2194 3331 3335 2388 2391 2432 2602 3980 3546 2859 2297 2748 2787 2371 1437 3610 2429 3245 2924 1834 2255 2499 1797 2775 2556 2048 1885 2879 2181 1813 1327 2065 3268 2745 2333 3208 2150 3458 1710 3026 2374 647 1957 2258 3078 2623 2522 4259 1661 2773 2085 2949 3012 1563 2187 1489 2051 2274 3893 2889 3217 2497 1599 2164 2038 2050 1723 1699 2338 2074 2506 2855 1703 1483 3658 3794 1708 1966 1720 2530 1710 3349 2980 2058 3177 2201 1662 3359 2955 3392 2358 1128 1333 2839 3827 1952 2379 1449 2329 3805 2659 1925 2156 4559 2740 2281 2333 1558 1936 1772 2682 1880 2081 1454 2669 1507 1132 1786 1640 1702 1260 2779 2109 1460 2231 1804 2334 1614 3075 2614 2205 4013 2202 4371 3919 2210 1657 1723 2393 1293 3378 3424 2051 2805 1413 2240 2378 1881 2981 2215 2816 2951 3630 2698 1996 2109 2277 3741 1735 3059 2610 1643 4565 3370 2075 2131 2214 3072 2233 1831 1555 1353 2063 2426 1998 3606 2457 2891 2213 4432 3599 1553 3147 4891 3034 3762 2987 1573 1385 2089 2256 3251 2249 2520 2368 4149 2976 3121 3067 2845 1565 1689 2862 2165 2629 3465 2848 2287 glucose 88370 117528 80416 69817 84915 116819 112089 115331 112140 58289 96266 68185 48489 84353 110648 83355 75772 72793 110865 81322 98122 112972 98860 79047 106604 97226 74742 64084 88705 95230 115307 104629 106773 41329 69734 109720 65003 54502 56514 81919 49115 104149 82945 87707 80612 78725 59989 88580 86606 56575 95702 97763 126580 113482 101403 55328 74611 76080 64371 98800 45838 71359 98941 84751 109569 35217 60022 85573 116434 57448 109665 118034 125147 80108 26840 132565 101734 116134 73038 100455 80466 84260 84986 73142 81252 118098 92833 88218 48074 83457 100556 80167 18604 114423 88921 117248 122181 27946 69556 80471 75650 96777 115803 57082 73858 90445 83216 55726 76313 79500 97357 73528 31595 114931 9321 93997 94291 155908 79183 4396 22593 58059 80967 108778 94354 63449 91307 101282 35057 102202 53372 65018 90204 25883 50636 92191 103408 62204 100025 58627 104947 117254 156235 87684 92289 115564 125223 77361 60024 86095 96312 75472 45061 108096 80769 94757 105167 83796 7021 37764 110686 45770 97570 124755 86728 118502 45264 47768 101474 121273 80803 96513 92906 92995 103169 64784 100479 93874 58194 91866 60778 64350 66346 52900 77796 83405 95415 70860 95618 51250 95499 84488 85400 42559 61700 88089 88417 97228 99376 90012 69604 79999 50406 52280 57576 77746 118359 112421 87318 106816 94653 136531 129136 100205 82992 134468 58428 35754 70997 50451 fumaric acid 4476 7056 4620 11094 5077 3399 4509 10370 9499 6618 10680 7387 7067 5160 6439 5523 9908 6984 3828 12514 6538 6409 4809 6355 4568 3293 3821 6675 6414 5796 7594 10271 5322 7101 3837 4970 8844 7403 9423 8570 7989 5854 3553 3876 4698 11557 2836 13331 9083 21004 6681 10223 3630 4333 4849 10176 4652 8990 3930 12104 7296 5226 1293 10383 6064 6239 16646 2901 4075 9797 17103 2016 5549 5160 3109 6587 5470 1535 1354 3919 6164 14352 11396 16395 6948 12283 9837 3357 9577 1691 6130 4119 6251 3736 7187 5246 4669 9842 3048 10438 6324 1499 2520 3116 3938 5914 4071 6172 6301 2122 6525 9067 5101 6099 8569 8363 7102 4826 11809 10275 7935 7008 10286 5626 4322 5932 3747 4996 932 6481 6735 6252 6293 1716 6977 7662 6408 11586 11404 5053 3903 4029 5599 11413 5980 14195 13683 9826 7769 5671 4844 12525 9318 3162 2847 3098 5393 4317 12865 4012 7919 3829 11670 2235 12795 6852 8049 8930 7865 511 2543 3645 3525 5870 16495 4588 10663 3216 7632 2778 2105 3815 7453 7828 3829 2520 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12869 1008 3096 4372 942 7593 920 1029 21544 9125 4091 11614 993 25460 11619 1137 5575 44321 3506 838 2106 979 851 1052 4692 930 6737 820 1048 2849 2741 2518 2193 8035 11221 3900 17636 4724 1982 1233 3021 2094 925 942 3492 2733 2690 6621 5358 2832 1030 2189 6366 3316 5046 3872 13847 2356 906 909 12322 7964 2157 928 ethanolamine 27837 50844 30401 34672 28911 36848 33707 44749 45103 39222 35920 24825 33222 23446 26908 36140 43203 27686 35909 45908 36355 33310 37008 40727 34249 35592 30760 25358 27204 26077 30915 34814 41557 35811 31478 23116 26942 36276 38792 35385 40030 24818 37273 21450 22370 31603 38185 30952 24616 31441 25000 34135 34412 24746 34533 34652 30759 38124 28820 35741 36889 18455 30555 32239 31974 28620 37152 27285 30123 31172 43363 30732 28910 35274 28092 37138 67839 35199 24324 42798 37086 38471 33096 45416 23697 32006 37241 26449 35283 37149 38747 25951 28030 32675 44768 31672 33652 28066 34365 31658 30461 32372 31884 36316 26373 22216 24190 30000 22866 25767 25276 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2211 3448 2466 3380 2435 2170 2311 4222 2147 3667 2309 2748 3187 5937 3222 2381 2557 1804 2567 1941 3077 2831 3574 2816 2467 2730 6923 2103 3163 2336 2197 3451 3067 5218 3141 2077 5247 3441 3723 5434 3065 2107 3672 5504 3053 4366 784 3758 3861 3244 3205 2782 3862 3896 3159 4500 2625 4937 4285 7065 2796 5741 5229 1161 3061 2401 3873 5925 2609 4084 1888 3427 3880 2789 5775 4697 2173 2845 3229 2781 2040 3325 3985 3639 2150 3124 3844 4098 2019 4040 5756 2986 1322 4283 2752 4354 6985 2893 2097 1997 3071 4004 2511 2858 3215 2384 3020 1510 4572 2549 5334 2042 6749 3416 6225 2704 3338 5406 3215 2752 2560 2733 2007 3830 2403 2432 2109 2176 5458 1981 2431 3538 4233 3578 2277 1949 2694 2352 4320 7814 3250 2476 1860 2611 3692 2962 2271 4481 3288 2346 3098 2712 5201 dodecanol 1437 963 1063 1402 1232 1414 1829 1025 2643 1176 790 1044 1335 1766 1402 1848 1532 1110 1742 1308 1623 1715 1512 1451 1529 1404 1425 1384 958 1489 1270 1238 1020 1231 1120 1559 720 939 772 1631 1503 1261 1036 1058 1115 1476 1133 2472 1286 1829 1345 1465 2094 1219 1811 1293 1527 1422 1332 1395 1507 1294 1467 1211 1568 1245 1311 1144 1264 1278 1526 1405 1294 1146 1135 1118 1456 1176 869 2322 1268 1482 1787 1521 1235 1487 1566 1567 1400 1365 1993 1186 1476 1713 1213 2007 1320 1393 1880 1336 1117 1345 1892 1090 1399 1052 1372 1574 1291 1093 2812 1404 1288 925 1290 1894 1125 1155 1931 2456 1698 1071 1444 973 1662 1184 1371 1109 1258 1023 1383 262 1164 1402 1375 1896 1564 1408 2121 1377 1311 1949 1363 1468 994 1872 1658 1192 1163 1845 1575 786 1444 1859 1280 1498 1312 2166 1661 824 1415 1090 1832 1035 1659 1389 1436 1048 1312 1913 1821 1710 1335 1958 1854 1187 5682 1328 1149 1217 1118 1076 1229 1407 1950 1411 1144 1514 1327 891 1946 1493 1044 1617 2050 1447 1074 1532 1138 2100 1131 1269 1192 1859 897 1161 1166 1416 1049 1294 1177 1353 966 1007 1512 1324 811 3256 1683 1571 D-erythro-sphingosine 2053 747 1972 2902 1017 2635 1439 1516 1818 1140 678 1033 2840 4104 3953 2883 6660 2968 2093 2155 1623 2862 3359 2385 1790 6031 1436 5750 1336 1078 1504 1618 1925 2101 2041 2479 690 7976 818 3518 4939 2262 1644 1967 1925 8065 2250 4027 2476 3522 5148 974 1990 1203 6002 4600 2086 3147 1609 2505 3620 2413 646 972 1184 1947 1875 1604 2599 2480 3509 6958 615 734 3006 2295 1141 1667 2338 5838 1936 4197 2735 2866 1399 2114 2636 1598 4410 1498 4485 1942 582 2558 513 2080 1903 2967 3531 3089 3098 4697 2750 2165 1954 1698 3868 1446 1249 1609 2746 1841 2246 1645 4593 2857 1679 1686 2692 7371 1959 1529 3780 2056 2484 2930 6277 3991 2945 1716 3732 1233 3100 912 4005 2461 2494 2836 2936 1931 3480 3914 4404 4086 1357 2723 5491 1438 1415 3930 4220 1697 4088 1941 2010 2852 2595 3548 3197 2308 5070 2728 2833 3936 4260 1819 4290 2980 3767 4734 3040 4050 4427 3346 1762 2125 1607 5646 4154 2971 4101 1616 1772 3020 5760 2192 1065 2385 1366 2013 2007 2009 1618 11305 3846 5758 1777 4187 7277 3755 2614 2534 1518 2588 2258 2913 2409 2057 1379 2054 1173 1354 985 789 2733 1354 1682 1280 1012 754 cystine 572 1614 876 2593 892 937 980 647 689 707 1022 643 708 354 476 1076 195 611 927 2102 1063 1516 394 1126 410 492 321 184 882 789 539 2360 870 436 494 870 665 1008 498 961 1135 746 2095 711 436 2137 1304 338 775 1172 584 5160 896 676 1037 580 946 1101 1199 3478 786 862 914 1385 1739 1472 187 1215 2023 3227 2379 1461 786 334 1800 742 138 512 250 733 645 1927 399 272 1012 6392 6964 641 851 431 2692 959 1965 2656 984 1045 716 1229 508 2217 1576 424 1035 765 1528 437 1116 621 714 357 864 1460 913 4101 472 2601 196 2912 686 1466 692 899 1518 1486 1246 968 343 668 822 1351 3697 953 887 1193 1223 979 571 227 193 829 1085 1611 1613 1425 2478 4080 6576 552 438 1393 1747 632 4435 968 432 1452 780 1424 1091 766 303 373 229 1506 1209 720 1403 2997 5491 1155 503 1127 1173 1786 386 1121 558 277 910 801 113 1301 1706 259 267 780 733 625 261 1028 217 782 677 2564 2253 349 882 2425 678 538 437 2548 467 724 387 2323 415 1945 392 816 622 738 1409 1421 388 487 422 190 903 69 cysteine 3352 1502 248 2163 218 601 671 4714 5336 205 492 696 2260 106 779 171 2374 255 141 2113 124 299 367 356 2711 149 210 223 232 153 1109 3760 1105 28 279 388 268 1650 413 1935 2424 209 5246 837 263 2153 484 3445 155 3152 270 2843 144 93 296 1993 392 1575 200 2276 1053 332 358 1316 4872 2429 3650 219 200 1768 3044 253 319 235 1960 2848 395 1708 159 136 2979 1794 2505 2121 714 2454 2401 205 1516 3256 3256 66 83 3453 1177 78 216 3725 4846 2412 5829 142 5439 189 4433 155 225 338 699 2486 4629 3033 261 3280 1788 2331 289 4368 3296 2323 1224 362 2319 1108 250 430 148 75 1782 400 1635 212 362 1047 2259 3563 1151 1611 2095 253 743 2724 223 2871 155 3641 2907 1466 1582 4821 208 3985 2028 198 117 443 3744 134 2416 718 1842 332 3026 2482 2024 549 1649 95 223 94 172 422 207 159 3449 72 3777 149 1351 89 146 2014 553 2046 1876 197 1726 3025 682 411 3029 2708 303 2398 2161 2712 485 2856 400 4313 52 2265 88 2020 199 2541 221 2569 77 525 1994 256 1569 979 1514 1096 395 1977 866 389 creatinine 430 1408 6224 1550 225 2133 2771 3722 16356 11186 854 499 381 3851 2587 367 7 979 231 22 7 535 2166 5926 64 744 366 2818 669 351 2171 1536 2551 6 971 3224 298 27 967 170 2149 634 2514 2360 1412 58 885 245 3201 3244 4404 0 616 5751 1111 127 83 213 538 1338 239 3203 967 210 519 108 0 1175 745 58 139 882 730 3040 5647 1338 1964 1663 995975 1200 1531 0 2022 484 1086 132 536 1513 833 1593 589 58412 1428 231 1405 776 1323 36 51 0 66 1104 65 450 255 1453 8930 841 710 228 7 4750 2959 959 208 2488 571 1927 168 28 923 162 0 1383 654 2098 4402 54 790 349 91 64 1211 2222 13 0 2013 63 273 376 952 32 635 55 60 739 683 2001 1099 180 646 2149 1437 1325 1241 1415 1927 1563 89 132 710 1330 6 978 330 1560 2659 94 341 1187 2136 2141 2064 1678 1406 1924 1199 1689 87 29996 2430 416 1017 2897 4815 567 3017 1174 139 1930 54 827 1249 2807 172 1110 1428 0 1490 105 1316 117 1002 1087 741 0 2653 92 879 1278 27 1362 1172 1203 663 2304 1605 742 2312 39 conduritol-beta-epoxide 2954 2808 5100 5854 3365 3231 3423 3928 3143 2851 4092 4310 2566 3601 4457 2158 3167 2751 3273 2794 3210 3352 2684 2904 2088 3545 2445 2148 4334 3103 5634 3512 1808 4993 2460 3173 3251 2123 4785 2893 2819 3089 3012 4194 4029 2912 3571 3603 3386 4897 4637 5974 2763 2572 3428 4314 2665 3442 2788 3796 1993 4125 3270 3161 2780 4339 3939 3777 4587 4150 4587 2709 2341 4312 2066 3945 1715 2907 2979 3385 3113 5177 4574 3145 4526 3835 2836 2894 4309 3919 2201 2879 4166 4637 2129 3645 3063 3869 3064 3828 2964 2692 2567 1442 2638 2476 4450 3836 3661 1558 1865 2859 4870 4511 2869 3807 1970 4152 4785 3445 3311 3250 2477 2988 2571 1750 3020 3131 1429 1926 3603 4406 4203 3064 3972 3318 3494 5230 5425 4308 3762 3886 2900 4142 4215 4500 7104 4123 4245 3274 3675 3745 5498 5265 2194 2124 2578 3146 4808 823 2477 2905 2935 3426 4695 3638 2982 3943 3801 2679 1651 2680 2668 3045 3912 2590 3800 2450 2866 2376 2292 2852 2936 2063 1361 3232 2233 4286 1724 1977 2200 3325 2958 2137 2658 2110 3578 3402 3525 3152 2881 3958 5169 4853 4534 3220 4103 3686 3119 3376 3925 1934 2402 3440 1843 2703 2935 3208 2251 2511 citrulline 22043 15015 28107 26396 26873 20458 19742 15627 16944 17063 37297 36535 24023 16351 28777 27342 20175 29631 22248 30606 16039 20132 17604 23186 11889 27175 24469 13251 22774 15319 21794 23475 22198 3692 37594 30515 46820 19890 35078 16634 18677 18362 19500 17113 13250 32091 33209 25401 14402 33242 15365 24453 14160 15828 19132 24329 23429 20674 26220 24523 25888 26241 32398 20462 22226 32874 25390 27699 24861 25438 22272 27078 25917 22264 21062 19574 15000 20351 17125 17084 16973 23163 24341 17767 25665 14729 24459 19582 35693 17087 22824 15853 52192 18847 23883 18615 21497 28594 18744 27070 20104 35610 30796 18944 20738 15249 27365 19131 39028 11890 6849 23581 30703 25628 17095 31576 19249 14975 25259 36108 38276 31237 15318 21102 14631 16023 19685 23860 13111 16980 22990 38432 27942 36840 19674 12536 21910 23310 22513 16814 30145 12339 12862 27506 17313 24389 28232 15429 22614 16823 24319 15658 35395 22323 23499 32910 10221 15323 22749 13760 17344 27255 9841 14148 29274 37430 42862 25141 22441 20162 24278 39312 23847 19164 21769 11383 17807 12538 24254 7683 18235 17873 24839 16162 13454 29903 15146 29653 28905 27893 4366 24025 22738 21699 26145 12033 38002 25979 23598 20869 17532 20379 34943 34082 34467 18834 17423 24301 26538 22983 16346 17613 18943 20610 12290 13383 30858 44465 25116 8657 citric acid 147577 122359 159628 183129 198355 119762 145641 167415 168121 113456 91693 104284 124529 147630 174033 131066 159379 130241 160618 165185 139677 141572 156803 138474 138913 204753 130048 183113 108147 122938 140211 170466 160096 186281 65353 154113 118347 118330 93164 108169 142826 109262 97623 93443 115187 156055 131370 199276 127945 182876 140315 164940 125736 159193 117945 121725 124060 160049 116408 173991 104596 142399 146326 124463 146891 148058 158101 127524 155276 152629 212558 158606 123827 95853 123382 128361 132758 141684 81660 89642 82045 197498 175826 263082 136308 188506 149728 106011 129192 91709 157546 155393 134748 177190 118554 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427 754 680 688 562 572 997 784 950 186 1058 318 202 897 976 757 325 416 272 1570 1042 897 675 791 592 775 332 800 993 778 844 992 776 823 1155 511 406 583 987 678 1189 942 667 749 818 1251 328 851 656 1103 579 622 754 743 672 801 568 485 1529 640 1035 814 361 310 591 618 274 1272 949 557 458 568 866 528 269 410 719 582 717 1071 795 981 669 1289 938 966 810 1248 941 968 844 775 1165 762 485 838 418 218 996 870 818 760 883 524 441 638 672 1128 1185 869 445 565 467 444 888 459 356 325 761 741 963 1414 671 657 788 1119 1323 369 839 711 911 558 1254 926 780 774 1090 447 558 563 576 847 1103 646 494 633 953 876 498 555 865 789 475 980 745 525 510 445 819 1198 950 526 851 445 1078 919 732 769 885 228 732 348 667 923 559 824 633 1053 369 535 800 543 598 608 976 1195 1097 1341 caprylic acid 2497 2168 2100 3962 2829 4392 3010 3385 2861 3780 1844 2027 4186 2586 2903 2801 3961 3159 3226 3443 4225 2202 4334 4608 2040 2811 3227 3974 3212 2625 3182 2639 3440 3634 2387 2590 1889 3485 1820 3944 4556 2327 2480 4116 2444 3476 2556 4761 2731 3789 4610 3675 2413 2895 2622 4036 3019 4663 2401 3325 3725 3956 3272 3652 2529 3335 3202 3426 2365 3851 3281 2641 2583 3398 3286 2680 2860 2476 2879 2602 2348 3627 4086 3770 2874 3585 3531 2620 3195 2253 2680 2439 3144 3657 2956 2165 3433 7566 2838 1822 3151 2570 2425 1740 1947 2247 3617 2490 2106 1941 2754 3120 3698 2391 3986 3975 2424 3019 3578 3588 2856 3091 3573 2730 3231 3095 4063 2065 2394 2062 4192 2412 2104 3143 3949 3510 2597 3195 4895 2694 2982 3189 4059 3734 2123 4449 5028 2259 3628 2077 2310 2203 2999 4157 2583 2711 3271 3105 3744 1758 3766 3055 4474 2416 4332 2372 1906 3698 2296 2863 2848 4105 3006 3103 4056 2156 3026 3636 3646 4392 3567 2090 2202 3664 3491 3290 2690 3610 3190 2521 2465 4122 2971 4700 3459 4555 3029 4700 3653 2076 3416 3484 2556 2434 2717 4355 3342 3369 3048 2442 3967 2427 2024 2307 3883 2693 1994 2816 3158 3964 capric acid 1187 1020 880 431 1439 1298 1163 1092 1726 1533 825 1076 1871 1506 1470 1655 979 1111 1074 1304 1535 1152 1531 1772 1153 286 1137 1628 822 1381 1459 1258 1182 2137 1012 1100 836 1246 760 1362 800 981 892 1492 985 1390 960 1941 1072 961 1514 1275 1641 1151 1124 1106 866 1353 1029 1473 913 1301 1072 1388 1107 913 883 652 920 1084 1143 1175 197 1252 1176 1121 1295 1289 922 1461 1161 1318 1522 1477 1008 1686 1065 1295 1394 248 1793 303 1279 877 1418 1589 1577 1629 1539 1677 1369 970 776 940 833 897 1388 1338 862 857 1860 1497 1048 1018 1287 1675 1092 714 1611 1755 1354 1316 1666 359 827 1166 1103 1118 1144 811 1053 1479 1141 1245 1653 1349 1421 1056 1397 1119 1261 1516 413 1647 1016 1915 1057 1023 1191 1157 1263 753 1645 1544 1030 1100 1089 1328 1183 744 1134 1416 1530 1028 1659 854 882 1348 1333 1105 1353 357 1047 1161 1765 214 1105 1125 1218 1430 1287 281 722 1263 1490 1452 1166 1213 613 864 1940 1306 1060 1289 1922 2200 1174 1670 1062 1325 1288 1255 1649 1651 871 1475 1321 1033 736 1354 1053 1103 972 1298 860 822 1051 1480 1258 1162 beta-alanine 11812 16946 15679 14102 10148 20504 17411 19907 10692 16106 12329 10706 17574 14301 21111 20027 14710 14181 14875 11893 23234 9751 15072 17010 17003 23317 15393 19919 13065 13156 14511 19552 16508 34776 9399 16638 10352 26440 10629 8883 10040 13259 13787 14738 15988 21230 18075 10513 8266 6368 15353 13212 16396 18112 12449 12271 8094 11526 11668 12207 16004 16127 14325 14685 13186 9079 7145 13267 13728 10963 19616 17364 12121 13457 15766 12636 18813 15857 20159 20724 17544 18114 9864 6994 11122 10371 10264 18360 14822 15676 21125 21692 23970 14913 11276 7652 19869 12090 17910 10729 9706 16564 8751 12943 14186 11103 13854 11482 13381 10145 11998 12039 17651 13548 20875 14481 14283 18326 7138 23343 15980 12623 18630 15552 9054 9425 20653 12328 29156 13611 13247 5878 9118 10712 20012 15338 23082 8711 10210 19125 16619 11177 10994 12496 9326 24576 18184 11358 17084 10237 14289 14372 9523 10467 21259 14798 19966 16996 12291 7625 13320 17170 10689 20623 23575 7386 8494 13638 15853 16101 22956 24843 10480 7751 13959 11494 14124 21662 17814 39215 15827 17029 12111 8668 24112 9447 17648 5025 9090 11053 9166 10074 14481 13134 18917 29590 13711 13167 19364 14335 17387 16701 17202 18083 13389 17628 18410 19940 17081 16331 13715 14038 14320 15987 17455 15438 10528 17581 15256 7269 benzoic acid 23708 4310 20993 7740 4610 28293 49713 7474 4239 596 7820 4053 8570 53537 4746 6199 5441 17034 7736 8944 31495 4916 91238 21137 7135 10547 11402 32002 13395 10431 25032 14466 14431 20887 1277 11521 10209 15537 20832 9071 6755 22750 22589 65603 9415 8616 5434 7846 19263 9122 28063 6751 9619 16752 4731 7847 25576 8450 7065 7482 9970 13341 7173 8434 8298 8911 12084 13076 33523 12404 6390 17302 11177 46442 27110 14347 13651 9846 16046 25112 3082 7157 16632 16906 12605 7303 8386 10889 8414 6013 25234 50832 7475 8903 44792 3203 9273 8380 5231 8161 8015 8263 3523 9480 3689 8500 22572 31539 5887 539016 8312 14067 52340 22643 18779 9694 20517 21705 16397 25281 21381 35527 8622 7670 17086 10525 35713 2698 18045 21101 9573 11217 2215 10104 10433 21232 8604 12053 8686 36103 5759 8954 19134 8209 3041 9481 9636 4141 6626 5805 4784 1295 12020 8106 8247 8927 7977 6941 8120 6310 9787 11151 8066 6790 9692 6986 7646 7924 5601 12650 24625 16731 13443 6738 8593 17854 4252 3395 9319 83441 18982 6767 3236 7181 11759 7985 6305 22235 3980 14579 8121 8464 4540 11946 9586 32120 6391 7675 11357 3688 5671 10935 6885 8196 3149 8218 28077 6577 14638 6650 5461 8412 2869 5310 10189 5706 15200 8173 13060 12464 aspartic acid 3987 5458 4628 5734 2495 6145 5384 5753 4373 3230 3284 2191 6737 3507 3776 4963 4090 3526 3153 4331 5203 6850 6513 4721 4851 2930 3570 2794 5084 3798 7680 4764 2922 2428 2529 3711 2680 4063 4138 5931 3899 4301 4549 5374 3770 3663 3756 3699 6323 3711 5156 5453 4322 3978 7462 3861 2107 3702 3644 6034 4855 6141 4812 3179 4648 2861 6212 3055 4277 2728 5110 4859 2659 4531 6369 4684 3490 5025 4569 3275 7667 7560 3483 7267 4711 5286 4444 5191 3108 5245 4035 3078 3516 6704 7080 3697 3787 2639 3987 4293 6000 5683 3776 7091 4315 2725 3953 5807 3288 3014 6042 2786 5248 3447 3126 4488 4950 4493 4134 3680 3876 3461 6814 3919 4683 4953 6968 3073 4620 5922 3912 2817 2392 5382 5823 7497 4320 9227 4227 4479 4925 5990 4736 4872 2565 4073 6529 2588 3652 4079 4710 11206 3725 5078 3701 2984 3934 4702 3707 1498 3066 3610 2148 6553 3276 4289 2656 5404 7696 3120 2127 5274 2590 3064 4096 2418 6253 4787 3064 4141 4044 4731 2970 2744 3315 2851 7723 4566 9574 3790 6116 2383 4994 4039 3459 2527 3578 3449 8051 1393 2673 4099 2876 5164 4640 7257 5540 6449 3906 4073 5046 4353 4606 5097 3876 4393 3551 3139 5088 737 asparagine 1474 1847 977 1131 1473 2253 709 1955 1055 1022 1901 1873 840 289 2467 2800 709 603 1193 655 860 1749 1459 1403 266 1170 1251 1461 1891 824 2562 1956 2329 206 1151 1203 1501 868 1080 693 619 821 2300 2276 467 744 1752 57710 456 41240 1064 704 930 788 1877 667 823 531 1728 669 816 1788 2146 442 834 462 502 1271 1151 727 557 1997 466 687 604 1920 674 1848 1033 1023 2113 781 223 1209 194 862 50220 713 304 759 2310 305 678 1747 3380 605 686 29689 1666 685 2101 1969 2387 4547 1881 857 1364 480 1753 1413 191 609 1227 2415 305 778 2689 1870 392 323 36170 1974 514 3157 1108 919 1390 2158 1042 998 758 1130 1205 1415 429 1043 2220 1417 173 728 1345 1599 911 724 2581 911 1272 1223 2019 1193 1464 6895 235 1649 976 1495 1246 1024 288 199 354 1048 23802 2451 439 1500 419 545 1900 524 1297 2416 884 1368 82137 515 1368 183 453 677 1906 1489 1284 402 156 1272 4129 232 3153 910 4 64656 1222 250 561 603 1333 37994 3420 1284 740 1382 1615 552 2367 367 1657 826 1255 1339 191 1867 2131 3111 534 997 1514 31554 1376 194 arachidic acid 4219 2214 2754 4496 2577 4494 3292 2867 3526 3813 846 2426 4109 5713 3609 4720 3784 2966 2728 938 6450 3671 6979 3547 1101 3322 2499 5533 3191 3035 871 2844 2117 5427 2244 2814 2476 4765 1606 3688 2661 2227 2841 1963 2706 5033 2184 5781 2507 4040 5653 4750 4033 3130 3716 1718 2390 4499 2382 4169 3895 4403 2629 3018 2846 4392 3642 1716 4173 2738 3846 4109 2135 3604 3874 2108 2484 2956 3392 3924 3530 3085 4322 11103 2827 4189 3696 3325 4739 3295 3563 2693 4037 4925 2580 1599 2535 5138 4377 4113 3216 2112 4137 2132 2661 2534 5633 2534 2159 3579 4291 4449 4495 1812 3671 5026 2348 2402 5026 5517 1699 3680 4410 1941 4629 2993 6114 3186 5653 2027 4161 1843 2096 4255 4331 3159 2536 3345 6708 2545 1992 3486 5070 2681 2866 4753 2704 2543 2612 3580 2958 1913 3764 4333 3074 2546 1732 2892 4652 2404 5298 3493 4042 3546 2635 2111 5077 3125 3516 2487 2232 4915 3091 3341 5190 2723 2164 3796 3593 4867 4436 2589 2188 4556 4318 2331 2948 4177 2214 1867 4310 4439 2645 6044 4285 6389 2239 4885 3750 3437 3729 4160 2273 2235 2348 5102 4571 4162 3493 2068 4834 2232 2396 1994 437 3304 2684 24322 2865 3253 aminomalonate 16599 2125 10262 2566 2080 550 7919 1635 1429 474 1135 1445 1672 585 2314 7799 3639 8769 2149 3030 526 1954 512 537 1518 5397 3306 541 3510 14127 11347 1999 2381 503 3823 4102 1372 12343 1940 2500 1388 7828 1453 486 21158 6771 2867 3361 421 1850 488 2180 15948 498 2860 2041 11797 1789 2034 1620 3923 533 2333 1971 1331 1288 1361 2325 3710 1378 4108 3229 3392 61933 504 1568 3176 960 11767 5795 13411 6714 1587 3010 1698 2662 3298 7946 3649 5925 6260 477 1095 6920 2785 873 3289 1686 3749 1145 1450 7990 2481 12650 3280 13975 545 1708 2008 459 6471 1676 530 1921 9005 2838 3364 1783 2373 4518 14227 10750 4002 5222 4872 6814 535 2082 582 20091 3240 2677 1848 4039 3820 4932 2987 3214 3098 495 2512 8547 500 1418 1478 2511 3454 1604 1101 5070 1542 1813 3656 1735 10613 5595 3747 535 1440 1590 7896 25876 16233 8090 2234 2013 3678 1610 2137 4992 33459 603 11890 1431 1429 445 1390 519 1986 558 455 33260 4216 104330 341504 7079 3066 1998 2698 2220 526 3657 2093 3838 4646 654 1820 3826 491 5587 56747 3916 3208 7094 1072 3380 546 4131 34461 2577 1729 3873 1094 2245 6393 4273 4315 6093 3824 492 alpha-ketoglutarate 3282 2521 4255 2797 2012 1032 960 4673 4940 6483 2335 1605 3566 2092 3233 4172 2911 4471 2449 991 3997 4147 4360 4353 3799 3719 3698 4847 2920 2937 4378 6458 1061 7113 1023 2607 1734 3068 4189 2360 2912 3380 2282 3437 3820 3275 1732 2366 1167 3558 4064 3065 3027 8222 3469 328 2073 4180 1513 2551 2342 3284 2569 4258 5052 2783 8770 2677 4366 438 5375 3096 2475 4593 4268 6546 2839 3178 2416 3286 4877 4791 2742 6714 4946 6218 2344 784 3497 886 4061 6149 1087 7828 4409 4045 2742 5001 1264 2193 4331 2437 1865 2390 2182 6427 3197 2152 922 2398 1703 3530 2635 1584 3557 1408 4991 3324 4617 3086 2836 3079 2528 5587 5134 4141 5894 2718 2304 4718 2577 2407 1374 5518 1769 5671 1942 2398 2076 3210 2820 5604 1835 2667 4495 3720 5339 5943 1556 2315 2121 6739 3947 5892 2737 2942 7328 2732 4942 1671 5870 3497 1814 6880 2479 2435 1722 7340 5411 2117 1612 1506 2267 4514 7704 3644 4572 3861 4110 1451 2648 7892 6231 972 4303 2419 4223 4107 7059 2719 7816 5747 2446 2508 4017 4666 6435 3424 1587 2063 5688 5995 2880 7096 3734 5982 4362 9593 4438 1764 6212 920 2230 4788 4764 2653 3705 1950 1675 2162 alpha-aminoadipic acid 806 1052 711 1873 1327 642 699 1078 1502 814 853 1005 974 838 2702 1165 960 680 477 1038 607 312 1062 677 1227 1605 892 1373 793 877 1495 1911 1400 319 1152 561 1023 1266 1437 1162 390 930 1105 1034 1290 1727 995 1766 783 1728 1099 585 1401 923 990 1155 706 1061 800 1253 730 869 1170 713 1359 961 1460 764 719 1197 1464 528 987 827 1227 1508 916 1277 935 942 970 1468 884 719 1044 2094 1402 904 1026 774 1604 547 331 1295 643 833 957 1285 970 1383 712 1081 746 505 959 887 898 923 1236 699 697 1053 1518 2102 662 2126 974 2377 833 982 437 1023 256 1425 1383 619 389 908 1165 1576 1450 1119 1047 512 1174 929 773 544 511 738 1619 1152 1447 1038 1112 733 931 1241 1213 795 1240 988 949 1631 751 641 448 1284 912 509 643 604 499 827 1068 1138 1256 1485 1838 580 940 1366 167 1697 1085 676 1194 712 849 442 803 1091 1727 760 286 1078 654 1231 387 684 185 1211 914 976 1072 548 980 1560 1335 1310 706 871 759 1065 1155 1230 925 961 337 1429 747 1318 1491 1534 822 1190 946 670 781 201 allantoic acid 1830 4637 1119 4240 4197 1352 1628 5109 1546 255 5037 3462 2395 531 2766 3061 178 924 3111 2945 432 3668 378 1534 798 1437 855 707 912 141 752 13196 7039 125 3341 2092 4252 1822 3420 1805 2141 680 6590 305 342 3145 3620 881 237 3069 636 4255 1140 432 1972 630 435 1177 2032 4302 1855 856 3441 3037 1977 3116 316 652 2787 2990 4453 1963 1136 381 1648 2803 886 4119 233 650 1527 2705 228 326 1880 7519 4070 1256 955 215 4691 691 4885 464 589 1596 1559 2683 1793 3519 4387 891 3278 1111 2851 310 445 1235 2095 125 441 2619 769 7592 533 4146 1049 7452 396 3750 957 738 2961 2763 1875 483 262 1326 936 984 3753 1656 1110 1186 2999 515 3242 286 399 447 1626 474 1287 4087 3803 4274 4913 1267 2583 286 4763 3821 3114 2679 945 1461 2036 1441 2852 1594 566 2034 195 2222 5065 1754 3032 2965 6046 980 1151 1599 1149 4245 702 290 1286 285 2924 348 573 2843 5525 397 183 1419 1470 1552 1507 3306 396 3968 2810 815 4072 181 3139 5110 815 1173 424 4442 3631 1851 536 3241 536 4129 412 3314 1130 3667 7775 4731 1136 2018 821 1122 935 140 alanine 767383 891885 939037 995498 905601 938005 865405 1286715 706775 562641 1189987 1306287 1180311 1131637 1140146 1031841 1036110 948128 791524 1020986 495396 1023276 679034 621593 1188226 872277 1083470 785486 1131930 1126284 932156 1082896 1110066 893341 1049348 749392 1392003 1128310 1183146 1085700 742571 1017427 1373391 836295 789321 1126149 1084292 670344 943257 728742 718978 899314 791289 844322 916265 918510 731948 1032514 1085887 804652 1299980 636636 1087289 977249 1073240 1026830 943367 772083 966884 973115 1065374 1237348 1007832 927385 1052691 1211443 1227825 1113354 769075 900438 1073990 1036641 929362 1023401 973052 1100325 833933 890500 896830 994946 971147 814335 1012542 1328992 1144751 1235403 643078 1026334 992340 1136455 1003855 902788 1105542 1551645 1095732 1003279 913174 1210998 1030730 1010315 610993 813919 524923 1034666 1074735 1131296 1264534 1216025 1004266 981410 1189486 1106591 978385 1091172 989644 1029381 874130 980958 971169 891089 925062 1040663 937507 1236916 844133 950453 1115835 1176961 808785 862578 975726 975443 756312 1127135 1427829 905499 985945 916723 1148906 885467 942777 2083710 888472 911497 1158316 990441 985662 782945 785193 413811 901059 904305 817749 1245787 811904 812481 1038159 1025191 1098981 826255 816961 586490 1016630 852463 999675 1052542 1474620 917576 1010486 1015274 1072577 1007814 848688 889984 782277 832722 1451079 971706 1155185 890304 647921 887406 1057868 573500 912731 432839 931324 876002 1247220 1168965 646853 1219418 985149 1131328 1283709 1207684 943159 953395 761328 692219 1022679 919409 1267653 1434996 1144604 1317861 1025669 905318 1085222 741978 adenosine 353 5942 64 161 1520 738 153 428 277 319 162 119 474 388 359 174 136 370 137 237 172 6847 523 394 2577 127 85 431 66 94 75 166 179 46 146 92 64 138 49 893 411 41 136 115 257 162 193 244 250 633 153 1303 190 110 386 171 112 804 145 2 312 95 717 226 509 79 26 154 281 399 318 437 285 74 61 143 565 138 84 366 767 256 219 527 327 362 38 150 901 106 233 74 235 56 892 112 857 204 282 149 157 120 115 145 80 92 230 1940 213 176 165 27 86 205 131 270 232 196 520 331 1159 828 253 229 748 201 387 91 386 2922 317 207 230 27 343 199 374 144 127 156 226 429 115 191 1061 189 370 83 119 53 94 287 35 310 367 273 273 239 195 800 239 196 187 218 258 297 463 255 485 162 204 371 275 398 31 90 283 125 99 353 132 310 127 245 644 83 407 2940 339 183 56 244 412 76 94 71 856 306 302 1268 154 43 80 68 1289 14684 2022 9464 70 119 251 259 6502 146 295 3158 148 35 112 322 6-deoxyglucitol 2833 2482 3067 3260 1352 3988 2383 1408 2613 3000 965 2364 3373 4811 5715 3406 2369 3048 2502 2081 3760 3398 3913 3153 395 3448 2237 3730 2938 3294 3226 2761 3378 2924 2930 3093 2312 2935 2267 3308 3719 4178 2796 3500 3312 2240 1137 4350 2567 3430 3522 2318 3353 3850 2810 3092 3283 2633 2325 2540 2956 3639 2074 2581 2866 2867 3132 1855 3484 2842 2306 3186 2868 3058 2691 3788 2918 2623 1729 4382 2855 2678 4822 3180 3624 2461 2537 3064 2794 2772 3108 3271 2908 4868 2184 1870 3386 2813 3151 2053 3035 3125 2280 2589 2537 3086 4558 2825 3573 1768 2973 1629 4398 3125 2412 3175 2527 3252 3147 2264 1765 2680 1626 3355 1937 2988 1376 3353 2742 2660 2872 2765 2813 2409 2796 2566 2529 2695 3820 2339 3072 3113 1449 2048 2073 2031 1833 2302 2973 2529 2892 2115 40125 3814 2993 2298 2633 3007 1940 1017 3164 3627 3549 2881 2980 2315 982 2342 2021 2923 2945 3570 2580 2799 3442 2532 2626 3551 2364 3568 2443 2519 2741 2512 2645 3175 1936 2102 1921 2125 2359 2926 1527 1846 1712 2695 2405 2711 3219 2667 2572 2513 3008 3019 2729 3491 4120 2356 2498 2570 2967 2212 2222 2661 3046 3548 3608 2671 2608 1995 5-methoxytryptamine 1386 6359 7576 1530 1124 789 381 1513 677 449 7531 699 322 206 321 410 248 543 203 2587 555 11553 514 573 508 134 1117 261 894 156 448 462 886 81 403 1961 260 339 9625 1323 291 1613 2171 836 152 377 704 258 178 685 155 2431 412 207 719 657 135 1330 231 700 548 570 3243 654 1143 3147 452 1531 687 3267 729 561 185 435 1308 816 328 168 53 706 2936 220 188 383 455 1038 609 271 510 64 662 880 697 425 452 2370 1338 441 297 387 501 215 149 295 187 238 159 2008 407 96 322 472 312 2224 257 408 248 278 269 960 4199 1041 2216 445 378 174 225 124 228 795 2026 124 191 698 598 133 254 159 221 86 171 375 147 1037 842 3326 11607 1039 88 154 286 764 975 343 314 336 192 232 350 1925 149 450 145 326 758 567 700 438 574 292 112 409 450 599 309 97 342 64 2111 235 84 3185 158 155 138 178 382 1451 150 1129 93 969 545 286 460 92 1278 2516 161 586 37 2156 166 1512 3402 10548 405 7502 345 123 4260 152 4511 1976 2155 4414 285 833 509 2686 4-hydroxybutyric acid 7320 4447 5824 9428 6830 6342 2740 5475 9114 9856 6492 7342 9832 5873 8480 7348 11845 6661 8245 10030 6535 8045 6346 5587 5687 5878 6894 5321 5084 4216 5343 5795 7037 4772 7135 9534 5724 13034 5369 9416 11086 6630 3838 5124 5417 9728 7274 13680 7843 11579 5838 10326 8192 7199 7731 9843 818 8668 7663 10667 10340 7467 7570 9334 7822 8130 8940 5803 6804 9468 8112 8227 5045 9445 12302 6684 8792 4049 5402 9515 5718 8808 12881 11174 6782 9251 11891 5320 8651 7940 7661 6149 6862 8931 6567 6127 9836 9479 8830 7965 6746 8384 6618 6198 7233 6108 6124 7724 8958 5941 8773 11237 6296 4370 10821 10475 9196 5702 8900 10568 11388 6220 9265 6314 7727 9288 5243 8117 7561 6045 11167 6653 8849 12088 12108 8063 9080 10156 13186 8306 6531 7375 3617 9744 5946 13079 9576 4197 6228 7829 8094 3333 9742 7198 7188 7682 4185 11505 9401 5137 9810 8255 15061 7336 11379 9342 8858 7501 6490 10000 4028 8337 7639 8304 9907 5921 4790 3745 10266 4293 3029 6489 5551 12280 12674 5657 3861 9547 7963 6814 7250 12087 8382 11993 10488 3522 8522 9940 4811 7888 6534 9397 8873 9927 5154 9494 4738 7836 6773 4673 8177 8049 4749 6469 8345 6809 6352 9554 5356 10683 3-hydroxypropionic acid 5027 2861 2892 3573 2911 3063 3508 3483 3089 3549 2611 2962 4080 4606 3926 5160 4597 2843 3371 3737 4954 2714 3477 3072 5056 2949 2824 3586 3459 3578 2914 3105 2511 3659 2710 2557 2256 4732 2437 4329 3723 2710 3058 4057 3015 3781 2775 4273 3359 5691 1903 3323 3119 3213 3073 3929 3168 3558 2687 3322 3742 3287 2813 3884 3197 3374 2995 3365 4139 3151 2991 3081 3240 3198 4775 2927 3255 2517 2881 3948 3528 3421 3839 3438 1696 3387 2767 2934 3146 3904 3121 2972 3289 5683 3348 3457 1563 3518 4018 3114 3135 2736 2888 3064 3497 2650 3258 2986 3139 4455 4575 2681 3440 2893 4180 3868 3059 3197 2887 4092 5894 3939 4390 2919 3087 2663 3666 3973 4239 3079 4260 2308 3040 3959 5468 4099 4318 3754 4037 3763 2894 3462 3588 3215 2542 4170 3647 3223 2804 4188 4223 2620 4522 4026 3215 2536 3675 4323 3810 2258 4240 4120 4532 4159 4352 2569 3478 3483 3897 3253 3028 3453 2819 3583 4442 2703 2530 2926 3833 3860 2962 3933 2783 3527 5432 3129 2839 3079 3355 2788 4655 3916 3127 3428 4480 3991 2585 4238 2828 4188 3983 3896 3708 3993 2483 4422 3261 3237 2933 3147 2603 3941 2833 2186 4737 3489 2403 4106 3735 5474 3-hydroxybutyric acid 85012 124665 135861 7601 41458 119493 124464 112710 222620 138592 89782 66612 59800 29227 59183 40242 64401 41900 115551 80532 69843 74806 56036 97195 63562 61821 101908 73775 82488 79435 62237 78781 111665 56526 67179 287099 85043 77081 96482 8767 68918 55991 54690 44812 51140 33496 117542 64319 61931 70634 46745 7540 100405 136136 41873 67409 83854 80572 89684 93398 86342 103937 192963 126708 111446 89496 76876 52712 61056 79143 107356 142162 147680 95566 5852 70059 278424 97530 49825 192185 57467 87185 69611 92272 88400 52165 98049 81391 49071 68063 241133 82719 125816 84742 106403 59176 77660 79814 48183 66274 53637 84089 190516 38098 49271 46280 54398 89154 88691 50079 130733 100752 56693 87638 58264 86387 82998 62496 101422 90325 67912 65954 8064 61895 45579 77773 69778 13947 52661 74997 49912 85136 57855 90976 60750 87974 48429 88346 126213 59991 67257 94077 93850 132057 84426 246713 122927 11801 76270 101199 67488 43282 90128 87159 69564 66359 54714 63785 12935 4758 60799 34415 41161 76961 91961 109588 59466 52907 97953 153344 199967 132280 50994 61339 95314 74925 72627 32952 86743 45333 53322 55663 80777 56336 132840 61571 73278 69234 47154 93401 127355 96521 89379 236752 12369 110326 82382 68726 98955 34682 71057 128097 116627 90957 79599 71902 105598 115961 103013 125589 73672 208616 87949 61132 54027 65939 88624 49667 106712 36230 3-aminoisobutyric acid 499 905 1015 226 292 1154 488 1143 366 710 610 675 815 751 1302 1039 604 845 590 496 822 511 634 856 487 676 812 889 579 525 607 1299 511 263 962 631 490 1936 478 231 548 936 891 716 1005 1298 1130 501 398 1706 353 1222 660 49 932 517 389 378 579 628 921 1095 803 1107 203 476 298 678 649 685 1117 857 722 743 599 795 1001 604 833 859 700 827 400 273 413 523 382 668 758 299 1352 903 794 537 389 369 1310 709 611 1023 415 1327 385 480 584 744 629 504 466 318 379 468 799 810 310 583 579 644 516 1448 471 705 720 818 1013 665 1266 556 972 476 694 423 716 463 1087 450 1170 236 363 732 1331 497 523 576 331 1209 867 481 936 466 907 683 1264 569 982 812 963 662 395 1151 632 1081 561 1129 1579 585 436 708 881 347 1589 1571 404 558 585 266 654 1065 1235 1035 998 632 946 420 1348 760 686 893 63 469 338 450 239 880 1167 1499 467 1569 1101 411 979 826 844 858 918 1216 1320 1335 917 584 770 867 333 970 604 965 553 793 349 462 3,6-anhydro-D-galactose 2350 625 928 2032 2749 2273 2030 2123 3514 2015 1604 2446 1642 1614 1968 2572 2025 2395 1712 2531 2506 1518 2173 1938 895 798 893 1439 2000 1903 1753 2504 2191 839 2629 2612 1792 656 714 3058 1892 750 2169 1490 1679 1043 933 3172 1471 3037 1744 1137 1570 1111 1893 2050 1866 1970 2286 3247 3791 1579 1330 953 2515 2913 1991 2175 2009 2007 929 1547 1522 1272 2050 2587 2364 1397 540 993 699 943 2603 1907 2039 1140 2549 2164 979 1130 1160 2131 3419 2007 3009 2418 2090 2983 1916 1901 2110 792 1078 969 852 869 1481 1835 2752 1877 3026 2105 2705 2201 686 1909 1942 2246 1696 959 1277 1330 996 1158 2013 4930 982 816 6671 1593 1938 1235 993 1178 2093 1965 1925 2572 2850 1812 1299 1237 1763 3076 1187 905 989 1791 2350 2226 1818 1676 3305 2961 680 1882 975 2064 2809 539 2131 10109 2345 2133 3263 1629 3233 1219 2585 2167 780 2689 2323 3219 3299 1400 1474 786 2881 1861 890 948 1051 891 1073 755 826 2411 1855 1917 1022 1555 1877 1169 928 1169 2617 1552 812 915 649 1069 2126 1006 721 1239 674 695 569 2117 876 1852 1814 625 1599 2562 2198 1550 2497 238 3-(3-hydroxyphenyl)propionic acid 1707 1480 3260 982 560 439 516 405 1280 471 457 528 673 387 823 988 567 533 927 550 571 757 584 557 3150 6887 5644 646 497 496 463 613 394 3910 1329 1387 314 8410 6334 323 421 432 513 534 406 556 5707 626 431 875 3225 747 880 658 657 1086 811 510 908 1393 795 827 2799 877 1521 1227 1784 672 551 527 502 4714 518 629 748 752 574 1174 322 8125 506 755 788 688 863 732 430 905 1245 683 1039 837 920 1814 671 1263 637 593 450 867 907 375 323 608 838 4345 822 832 871 344 434 918 984 550 785 1507 422 492 1147 9669 6643 1875 7990 244 680 458 700 616 677 750 954 1343 824 748 648 755 524 868 1258 1668 511 779 641 2300 7145 7284 10167 1090 1892 1173 3030 499 1036 1234 522 536 406 603 743 397 533 299 535 396 576 880 520 343 595 687 466 517 489 607 1245 613 660 554 1445 654 1726 346 575 757 6281 562 558 429 729 424 610 1002 634 8035 1406 413 472 1086 429 584 526 885 441 1667 325 902 623 640 5944 691 688 659 843 309 388 525 599 1170 772 612 2-ketoisocaproic acid 13675 7609 16677 7619 6585 16718 11830 12945 20566 13591 6440 6657 16818 10556 10631 18732 19329 9843 16570 16498 13689 11883 13632 19798 10891 12930 14516 32799 5713 10279 9750 11760 10632 17409 7669 14036 8749 15091 5242 10131 9658 11628 8046 12587 9759 14784 13954 11915 10699 9118 7069 12871 17915 16133 11524 8999 9410 9802 14381 12100 13291 15414 13671 15273 16203 8560 9282 8813 11025 11787 10058 8513 9442 10171 10693 5535 14614 15870 8029 10406 7538 6625 15985 20657 10885 10171 7105 7665 10257 10456 13938 16150 8978 24932 15356 11598 16255 12837 17767 11372 11960 10586 12867 5897 11928 16763 22105 12478 11078 7739 15882 11546 14988 8338 16321 8425 19362 11265 9780 12878 8680 7773 10625 15572 22336 14557 12011 7935 19270 9307 5683 11099 9430 12946 9691 14322 6927 8323 14704 17863 3730 14257 15430 10043 11339 15905 7281 6760 5026 8947 7190 6435 8565 16810 10561 17164 18947 15175 11059 9254 21680 11759 12597 19436 7747 11321 9049 8004 12050 27539 16073 14938 9857 13982 5527 14545 4416 8720 22219 11057 11132 17620 11793 23841 16675 7177 7306 9503 7087 10474 18181 17506 10895 14016 11680 13811 13170 9010 7175 8291 9184 13299 13251 13797 7553 11636 17419 11213 11085 10720 7715 11758 6213 11517 17061 7439 7194 4351 8822 20463 2-hydroxyglutaric acid 1309 1741 838 1409 1238 1361 1301 1760 1975 558 907 917 1019 961 810 1187 1135 1597 1149 1085 1332 1286 1707 1740 1411 1424 698 1617 1588 1602 1876 2462 696 1833 1183 1339 878 836 1340 1391 1428 1175 1631 1080 1063 1415 728 2100 1175 2000 1333 1823 1298 1380 1364 1395 1569 1403 1315 2243 1176 1445 2018 1556 1883 2121 2090 1514 1334 1276 2430 1100 1643 1398 1306 1628 1993 2074 799 1370 733 2204 1698 2543 1755 1594 1908 824 1769 1386 2174 1038 1720 1685 1393 1496 1881 1538 1039 2032 2352 1211 1390 1064 1721 1150 1489 1011 1224 641 1639 1571 894 1595 511 1883 1699 669 1756 1500 951 940 1027 1461 1267 1840 1031 1257 924 472 962 2016 1293 1086 1864 926 1308 1624 1010 1138 1040 1577 996 1676 1112 1484 2130 1536 1523 1266 1611 2209 2113 1643 843 1249 1000 677 2766 821 1289 1402 1256 1703 1255 1685 1686 1536 2105 1760 1191 648 1275 2011 1583 757 1681 1219 1842 1351 1257 1325 1809 1393 1528 1748 2307 2024 1851 1170 1859 1561 1455 514 2246 1453 1686 2307 1052 1378 760 1319 1224 1102 1537 1701 731 1431 987 1637 1520 457 1226 1388 1385 1192 1644 1669 1508 779 2-hydroxybutanoic acid 52538 8335 50174 14091 8190 62828 34021 9160 8455 114481 21288 20929 21908 57805 17586 19150 50252 21124 23067 34787 115851 22611 47736 43304 290183 41719 27153 78131 18264 24384 23398 14932 9399 175200 17001 24709 3356 51217 23695 20874 9130 13497 14160 32804 18169 33161 14677 181271 34156 117036 41944 20415 73128 49263 24900 38409 22553 6575 19392 20934 46910 64141 20325 19028 30480 26825 29845 29416 24918 15251 13816 26415 23443 65667 1194601 16236 31236 8197 52449 20077 244246 19544 18419 28164 18941 15168 120841 35440 27794 41526 44898 111395 14787 39804 17621 12327 17970 20603 19148 22039 13668 38779 24872 22825 26195 24321 27867 15609 28819 45015 68688 23009 54126 15871 33693 323792 20290 27520 15707 42455 499062 31621 153476 16171 34732 17617 48825 46801 83683 63193 22604 25428 28058 242149 28030 47523 16489 28577 41185 37068 23373 45275 175705 25345 17194 56730 20633 25386 19341 35722 23486 20539 311140 44001 27630 23686 21525 97864 33508 4578873 26298 23349 29605 39783 26500 22258 29307 22324 31937 66857 53109 94397 31340 25774 16703 30184 17147 88146 26627 499776 19600 49800 25718 16371 2975 21917 17021 81187 11532 27305 824208 44217 19398 476726 22381 3498 18101 18450 44684 29654 55428 15507 20705 37494 20874 32431 79776 20627 39677 34714 14500 33094 11268 11267 45937 5767 25436 250760 28189 199167 2-deoxytetronic acid 1835 1445 380 736 1284 1380 1260 788 1605 1206 954 904 1398 838 2246 1379 1373 1166 1346 761 1040 1584 1543 1487 1329 1504 1240 2181 1278 1586 479 1712 1825 1695 1057 1496 1443 1611 1207 1385 1479 1399 1431 1705 1425 1294 1281 894 1472 1802 1812 2015 2051 1629 1667 1275 1267 1466 1407 1484 1414 1761 1413 1205 1690 1513 1204 1072 1189 1190 1750 1371 1339 1168 1385 1336 1330 1283 565 1919 1402 1783 1927 1823 1151 2018 1498 1475 878 683 1824 1499 1499 1863 1261 1147 374 1135 1379 1979 1806 1462 1384 1075 1556 1329 2137 1495 782 1325 2184 1972 1739 1381 1675 1926 1540 1841 1554 1861 1597 1197 1740 1084 1607 1983 1601 1417 1525 1190 1186 1194 1268 978 2166 1376 1679 1048 1787 1281 1138 1828 1722 1719 1162 1789 1274 987 1103 1045 1566 1001 1317 1597 1406 1105 1307 1753 2149 734 1770 144 1104 1762 2055 1216 1257 1655 997 1641 1465 1294 1518 1541 1430 1226 1216 1722 1400 1788 1035 1478 1785 1627 1689 1882 1308 1773 1052 846 1784 1006 1173 1531 1342 1609 816 1753 1285 1960 1035 1325 1117 1311 904 1922 1599 1864 1129 1287 1478 1521 1080 278 1587 1702 1104 1438 1361 1612 2-aminobutyric acid 32442 13158 18495 30004 16392 36047 22875 24240 23201 22042 17643 26023 29784 19977 23475 47671 21324 16148 27230 36387 14261 24765 14962 15159 20234 23703 24965 12474 47666 14326 20455 7295 22054 12074 20211 30027 12543 30368 18400 32127 18020 22506 28941 33495 24916 22556 21347 12368 26750 28171 19607 21824 54065 18340 74607 10980 19739 17323 20339 15023 43013 34572 31116 25635 49669 19725 13262 20695 22553 29040 10195 20380 19603 30674 36503 16170 25775 20446 13625 32100 18189 20308 13291 12812 29597 21942 18269 20017 22867 41556 56295 26961 29939 55728 20611 30037 16591 27835 30892 33048 28843 20518 34974 14588 37109 16296 14548 18945 30222 34480 31786 23717 27051 26165 32230 42933 20604 22220 11991 16793 32454 27280 18360 21295 52448 30987 19803 36287 19503 30982 33267 31804 31914 30849 31458 26583 22433 13425 20384 29936 26079 13865 22574 28568 25490 19158 24897 3666 21836 34756 31991 19043 38775 43349 32038 34450 20781 60331 13325 20325 15711 21896 10388 27043 14607 29755 37370 27984 47474 24152 21933 44935 26785 37832 11674 23703 16131 18336 32772 30892 23479 53112 23570 11753 28915 24918 20799 31244 18949 20038 14943 29816 16718 35183 13917 10199 17353 34052 31026 34711 11642 28997 21906 35641 32948 33754 21008 9255 34268 29006 8191 21057 26498 15361 13842 12827 47529 28569 31658 61822 1,3,5-trimethylcyanuric acid 38218 29971 36340 41144 35636 40972 45330 42140 42830 41592 21884 31713 40168 46615 47775 41386 33677 38441 39342 41940 51760 34681 45104 46176 41601 43794 33221 46516 29503 30280 39139 42565 37164 39856 35345 40597 27717 44799 27013 41259 33693 34114 38531 41170 36666 43518 39277 55369 37532 43839 45656 43781 44258 39345 28475 38010 37618 38975 38575 42193 40503 48677 41368 38520 35263 36034 33969 36015 36192 35725 43806 39314 36177 37810 44397 30419 45909 39292 34965 44773 36216 39578 45969 42228 32104 40376 43532 40163 40388 40595 38907 38142 40404 48307 42370 38639 42952 37836 38581 43040 43080 34952 39626 33193 39171 32576 48145 39167 35298 30734 53487 44288 45877 37730 43266 47345 43033 46366 42495 51897 49756 34252 46255 36936 38013 35979 46848 37371 40912 37421 36921 37464 36541 43582 46338 38717 46229 39466 49646 45233 41837 42732 45224 43500 32826 53807 37020 34587 37623 39817 41072 29592 42449 39069 44689 38339 34086 45391 43970 22325 39551 39530 42632 41432 48968 35013 40467 38166 39457 46662 24029 51295 37461 41518 45369 36880 32659 46078 38690 54029 42165 37813 34366 41345 52618 33591 40132 40876 35903 33232 46890 45409 35129 49521 43644 58070 36107 49012 41412 43126 40629 35658 38666 42585 34852 43719 45947 42534 33927 39130 34819 38696 36614 34001 40801 47313 31493 37117 34595 48060 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index m/z binbase id PubChem ID KEGG ID InChI Key xylulose NIST 553450 173 31632 439205 C00312 LQXVFWRQNMEDEE-PYHARJCCSA-N xylose 543267 103 169 135191 C00181 SRBFZHDQGSBBOR-IOVATXLUSA-N xylitol 567437 217 5857 6912 C00379 HEBKCHPVOIAQTA-NGQZWQHPSA-N valine 313502 144 3 6287 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N uridine 861508 217 14815 6029 C00299 DRTQHJPVMGBUCF-XVFCMESISA-N uric acid 731038 441 33210 1175 C00366 LEHOTFFKMJEONL-UHFFFAOYSA-N urea 329351 189 145496 1176 C00086 XSQUKJJJFZCRTK-UHFFFAOYSA-N uracil 385735 241 1664 1174 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N tyrosine 671252 218 16 6057 C00082 OUYCCCASQSFEME-QMMMGPOBSA-N tryptophan 780482 202 14 6305 C00078 QIVBCDIJIAJPQS-VIFPVBQESA-N trans-4-hydroxyproline 484934 140 97 5810 C01157 PMMYEEVYMWASQN-DMTCNVIQSA-N thymine 420133 255 1692 1135 C00178 RWQNBRDOKXIBIV-UHFFFAOYSA-N thymidine 349402 170 87703 5789 C00214 IQFYYKKMVGJFEH-XLPZGREQSA-N threonine 409568 218 26 6288 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N threonic acid 497572 292 172 5460407 C01620 JPIJQSOTBSSVTP-STHAYSLISA-N taurine 556690 326 411 1123 C00245 XOAAWQZATWQOTB-UHFFFAOYSA-N sulfuric acid 282411 227 12266 1118 C00059 QAOWNCQODCNURD-UHFFFAOYSA-N sucrose 915139 271 173 5988 C00089 CZMRCDWAGMRECN-UGDNZRGBSA-N succinic acid 370608 247 161 1110 C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-N stearic acid 787622 117 13 5281 C01530 QIQXTHQIDYTFRH-UHFFFAOYSA-N serine 395020 218 25 5951 C00065 MTCFGRXMJLQNBG-REOHCLBHSA-N saccharic acid 699211 333 11214 33037 C00818 DSLZVSRJTYRBFB-LLEIAEIESA-N ribose 553135 217 1662 5779 C00121 HMFHBZSHGGEWLO-SOOFDHNKSA-N ribonic acid 599680 292 1683 5460677 C01685 QXKAIJAYHKCRRA-BXXZVTAOSA-N ribitol 575497 217 7362 827 C00474 HEBKCHPVOIAQTA-ZXFHETKHSA-N raffinose 1120886 361 3190 439242 C00492 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N pyruvic acid 211003 174 66 1060 C00022 LCTONWCANYUPML-UHFFFAOYSA-N pseudo uridine 813899 217 1688 15047 C02067 PTJWIQPHWPFNBW-GBNDHIKLSA-N proline 364523 142 171970 145742 C00148 ONIBWKKTOPOVIA-BYPYZUCNSA-N pinitol 622466 260 16544 164619 C03844 DSCFFEYYQKSRSV-FEPQRWDDSA-N pimelic acid 523205 155 33429 385 C02656 WLJVNTCWHIRURA-UHFFFAOYSA-N phosphate 345365 314 4 1004 C00009 NBIIXXVUZAFLBC-UHFFFAOYSA-N phenylethylamine 510327 174 2005 1001 C05332 BHHGXPLMPWCGHP-UHFFFAOYSA-N phenylalanine 537804 218 33 6140 C00079 COLNVLDHVKWLRT-QMMMGPOBSA-N phenol 218927 151 31889 996 C00146 ISWSIDIOOBJBQZ-UHFFFAOYSA-N pelargonic acid 399229 117 50 8158 C01601 FBUKVWPVBMHYJY-UHFFFAOYSA-N pantothenic acid 690887 291 31356 6613 C12276 GHOKWGTUZJEAQD-ZETCQYMHSA-N palmitoleic acid 706508 311 96 445638 C08362 SECPZKHBENQXJG-FPLPWBNLSA-N palmitic acid 713809 313 11 985 C00249 IPCSVZSSVZVIGE-UHFFFAOYSA-N oxoproline 485935 156 10 7405 C01879 ODHCTXKNWHHXJC-VKHMYHEASA-N oxalic acid 260513 190 4923 971 C00209 MUBZPKHOEPUJKR-UHFFFAOYSA-N ornithine 527113 142 1821 6262 C00077 AHLPHDHHMVZTML-BYPYZUCNSA-N oleic acid 779120 339 43 445639 C00712 ZQPPMHVWECSIRJ-KTKRTIGZSA-N octadecanol 755409 327 997 8221 GLDOVTGHNKAZLK-UHFFFAOYSA-N myristic acid 634414 285 127 11005 C06424 TUNFSRHWOTWDNC-UHFFFAOYSA-N myo-inositol 730022 305 1741 892 C00137 CDAISMWEOUEBRE-UHFFFAOYSA-N methionine sulfoxide 637588 128 1678 158980 C02989 QEFRNWWLZKMPFJ-YGVKFDHGSA-N methionine 483560 176 45 6137 C00073 FFEARJCKVFRZRR-BYPYZUCNSA-N mannose 645856 205 70 18950 C00159 WQZGKKKJIJFFOK-QTVWNMPRSA-N maltose 946601 204 1979 439186 C00208 GUBGYTABKSRVRQ-PICCSMPSSA-N malic acid 463180 233 1391 525 C00711 BJEPYKJPYRNKOW-UHFFFAOYSA-N lyxose 541086 217 85112 439240 C00476 SRBFZHDQGSBBOR-AGQMPKSLSA-N lyxitol 573587 217 233 439255 C00532 HEBKCHPVOIAQTA-IMJSIDKUSA-N lysine 663483 156 12 5962 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N linoleic acid 777414 150 165 5280450 C01595 OYHQOLUKZRVURQ-HZJYTTRNSA-N leucine 346101 158 9 6106 C00123 ROHFNLRQFUQHCH-YFKPBYRVSA-N lauric acid 547906 117 49 3893 C02679 POULHZVOKOAJMA-UHFFFAOYSA-N lactic acid 217657 191 80 612 C01432 JVTAAEKCZFNVCJ-UHFFFAOYSA-N lactamide 265698 232 415 94220 SXQFCVDSOLSHOQ-UHFFFAOYSA-N isothreonic acid 489385 292 1679 151152 C00639 JPIJQSOTBSSVTP-GBXIJSLDSA-N isoleucine 359251 158 15 6306 C00407 AGPKZVBTJJNPAG-WHFBIAKZSA-N isohexonic acid 698302 333 100866 604 RGHNJXZEOKUKBD-UHFFFAOYSA-N isocitric acid 617338 245 32122 5318532 C00451 ODBLHEXUDAPZAU-ZAFYKAAXSA-N inosine 897434 230 84524 6021 C00294 UGQMRVRMYYASKQ-KQYNXXCUSA-N indoxyl sulfate 577333 277 31543 10258 BXFFHSIDQOFMLE-UHFFFAOYSA-N indole-3-propionic acid 732249 202 112556 3744 GOLXRNDWAUTYKT-UHFFFAOYSA-N indole-3-lactate 764586 202 724 92904 C02043 XGILAAMKEQUXLS-UHFFFAOYSA-N indole-3-acetate 684929 202 69 802 C00954 SEOVTRFCIGRIMH-UHFFFAOYSA-N hydroxylamine 255241 146 139 787 C00192 AVXURJPOCDRRFD-UHFFFAOYSA-N hydroxycarbamate NIST 325318 278 130396 16639161 DRAJWRKLRBNJRQ-UHFFFAOYSA-M hydrocinnamic acid 434422 104 114270 107 C05629 XMIIGOLPHOKFCH-UHFFFAOYSA-N hippuric acid 636836 206 33211 464 C01586 QIAFMBKCNZACKA-UHFFFAOYSA-N hexuronic acid 667373 160 4554 152867 IAJILQKETJEXLJ-UHFFFAOYSA-N hexose 642640 319 20287 206 C00738 WQZGKKKJIJFFOK-UHFFFAOYSA-N hexitol 704741 217 255 453 C00392 FBPFZTCFMRRESA-UHFFFAOYSA-N hexadecane 525964 85 120765 11006 DCAYPVUWAIABOU-UHFFFAOYSA-N heptadecanoic acid 751309 117 727 10465 KEMQGTRYUADPNZ-UHFFFAOYSA-N glycolic acid 227636 177 1971 757 C00160 AEMRFAOFKBGASW-UHFFFAOYSA-N glycine 368707 248 6 750 C00037 DHMQDGOQFOQNFH-UHFFFAOYSA-N glycerol-alpha-phosphate 590747 357 1687 754 C03189 AWUCVROLDVIAJX-UHFFFAOYSA-N glycerol-3-galactoside 805227 204 1693 16048618 C05401 NHJUPBDCSOGIKX-NTXXKDEISA-N glycerol 344466 205 30 753 C00116 PEDCQBHIVMGVHV-UHFFFAOYSA-N glyceric acid 377495 189 48 439194 C00258 RBNPOMFGQQGHHO-UWTATZPHSA-N glutamine 600000 156 171972 5961 C00064 ZDXPYRJPNDTMRX-VKHMYHEASA-N glutamic acid 527086 246 16576 33032 C00025 WHUUTDBJXJRKMK-VKHMYHEASA-N glucose-1-phosphate 594647 217 3167 65533 C00103 HXXFSFRBOHSIMQ-VFUOTHLCSA-N glucose 675179 217 71 64689 C00221 WQZGKKKJIJFFOK-VFUOTHLCSA-N fumaric acid 390016 245 14755 444972 C00122 VZCYOOQTPOCHFL-OWOJBTEDSA-N fucose 578299 160 3009 439650 C02095 SHZGCJCMOBCMKK-FPRJBGLDSA-N fructose 639442 307 21 439709 C02336 RFSUNEUAIZKAJO-ARQDHWQXSA-N ethanolamine 344719 174 3212 700 C00189 HZAXFHJVJLSVMW-UHFFFAOYSA-N erythritol 471922 217 92 222285 C00503 UNXHWFMMPAWVPI-ZXZARUISSA-N dodecanol 507619 243 12092 8193 C02277 LQZZUXJYWNFBMV-UHFFFAOYSA-N D-erythro-sphingosine 859500 204 126903 5280335 C00319 WWUZIQQURGPMPG-KRWOKUGFSA-N cystine 804619 218 94 595 C01420 LEVWYRKDKASIDU-UHFFFAOYSA-N cysteine 500158 220 65 5862 C00097 XUJNEKJLAYXESH-REOHCLBHSA-N creatinine 502599 115 31 588 C00791 DDRJAANPRJIHGJ-UHFFFAOYSA-N conduritol-beta-epoxide 675635 318 2670 9989541 ZHMWOVGZCINIHW-SPHYCDKFSA-N citrulline 621404 157 1712 9750 C00327 RHGKLRLOHDJJDR-BYPYZUCNSA-N citric acid 617342 273 288 311 C00158 KRKNYBCHXYNGOX-UHFFFAOYSA-N catechol 376695 254 31654 289 C00090 YCIMNLLNPGFGHC-UHFFFAOYSA-N caprylic acid 343457 201 6866 379 C06423 WWZKQHOCKIZLMA-UHFFFAOYSA-N capric acid 452386 229 50422 2969 C01571 GHVNFZFCNZKVNT-UHFFFAOYSA-N beta-alanine 435564 248 148 239 C00099 UCMIRNVEIXFBKS-UHFFFAOYSA-N benzoic acid 339067 179 36 243 C00180 WPYMKLBDIGXBTP-UHFFFAOYSA-N aspartic acid 480387 232 79 5960 C00049 CKLJMWTZIZZHCS-REOHCLBHSA-N asparagine 553078 188 146 6267 C00152 DCXYFEDJOCDNAF-REOHCLBHSA-N arachidic acid 856421 117 291 10467 C06425 VKOBVWXKNCXXDE-UHFFFAOYSA-N aminomalonate 455754 218 413 100714 C00872 JINBYESILADKFW-UHFFFAOYSA-N alpha-ketoglutarate 507392 198 294 51 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N alpha-aminoadipic acid 573295 260 125502 92136 C00956 OYIFNHCXNCRBQI-BYPYZUCNSA-N allantoic acid 723539 259 33396 203 C00499 NUCLJNSWZCHRKL-UHFFFAOYSA-N alanine 243971 116 34178 5950 C00041 QNAYBMKLOCPYGJ-REOHCLBHSA-N adenosine 918039 236 290 60961 C00212 OIRDTQYFTABQOQ-KQYNXXCUSA-N 6-deoxyglucitol 599776 117 92567 151266 SKCKOFZKJLZSFA-JGWLITMVSA-N 5-methoxytryptamine 864466 174 284 1833 C05659 JTEJPPKMYBDEMY-UHFFFAOYSA-N 4-hydroxybutyric acid 325027 233 85123 10413 C00989 SJZRECIVHVDYJC-UHFFFAOYSA-N 3-hydroxypropionic acid 269265 177 1977 68152 C01013 ALRHLSYJTWAHJZ-UHFFFAOYSA-N 3-hydroxybutyric acid 278829 191 46 92135 C01089 WHBMMWSBFZVSSR-GSVOUGTGSA-N 3-aminoisobutyric acid 452655 248 12265 64956 C05145 QCHPKSFMDHPSNR-UHFFFAOYSA-N 3,6-anhydro-D-galactose 588886 231 102714 16069996 C06474 WZYRMLAWNVOIEX-BGPJRJDNSA-N 3-(3-hydroxyphenyl)propionic acid 583925 192 49497 91 C11457 QVWAEZJXDYOKEH-UHFFFAOYSA-N 2-ketoisocaproic acid 310761 89 208 70 C00233 BKAJNAXTPSGJCU-UHFFFAOYSA-N 2-hydroxyglutaric acid 506306 247 2000 43 C02630 HWXBTNAVRSUOJR-UHFFFAOYSA-N 2-hydroxybutanoic acid 258161 131 40 440864 C05984 AFENDNXGAFYKQO-VKHMYHEASA-N 2-deoxytetronic acid 433456 189 1208 150929 DZAIOXUZHHTJKN-UHFFFAOYSA-N 2-aminobutyric acid 285825 130 160842 6657 C02721 QWCKQJZIFLGMSD-UHFFFAOYSA-N 1,3,5-trimethylcyanuric acid 416269 171 125664 AHWDQDMGFXRVFB-UHFFFAOYSA-N METABOLITES_END #END