Clustering data with hclust algorithm for (Study ST004227)

(Analysis AN007035)
MetaboliteStructureF1F2
DG(5-iso PGF2VI/16:0/0:0)ME11433050.481.52
IsoputreanineME11423600.481.52
D-Erythro-dihydrosphingosineME11420440.501.50
Thymoquinol 2-O-beta-glucopyranosideME11435390.491.51
S-(-)-CotinineME11431110.491.51
2^-DeoxyadenosineME11420470.491.51
2^-DEOXYURIDINE 5^-MONO-PHOS-PHATEME11434500.491.51
MagnoliosideME11419960.531.47
CerbinalME11429900.531.47
HydroxyectoineME11422170.531.47
2-Hydroxy-3-carboxybenzalpyruvateME11434990.511.49
Acetyl tributyl citrateME11424320.521.48
Methylophiopogonone AME11419950.521.48
(+/-)-2-(1-Methylpropyl)-4,6-dinitrophenolME11433200.431.57
Thr Arg TyrME11426420.431.57
(-)-Solenopsin AME11425810.441.56
beta-Hydroxy-2^,6^-dimethoxy-3^,4^-methylenedioxydihydrochalconeME11436880.441.56
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestaneME11426830.441.56
AldoxycarbME11424250.441.56
N^-nitrosonornicotineME11433110.451.55
Moracin MME11420650.471.53
Dihydronaringenin-O-sulphateME11431330.461.54
Dimethyl pimelimidateME11432940.461.54
CarteololME11429490.371.63
cis-13,16-Docosadienoic acidME11421670.411.59
Sitostanol-betaME11432570.401.60
AlstovineME11436200.051.95
Kopsiloscine IME11428860.031.97
Botcineric acidME11433790.151.85
C16 SphinganineME11429000.141.86
LinderalactoneME11419790.081.92
2-aminohexadecanoic acidME11429320.101.90
DecursinolME11419530.121.88
PhenylbutyrylglutamineME11423790.331.67
(S)-(+)-Chelonin BME11435890.321.68
alpha-D-Sedoheptulopyranose 7-phosphateME11436060.321.68
N-MethyldioctylamineME11425550.321.68
Anhydrolutein IME11435060.281.72
Piscrocin GME11428840.291.71
ErgosterolME11423040.291.71
LysoPC(P-16:0/0:0)ME11423580.291.71
OctadecylamineME11423400.301.70
TridodecylamineME11433250.311.69
SenecionineME11430600.261.74
2-Hydroxy-4-trifluoromethyl benzoic acidME11431920.251.75
p-CoumaroylagmatineME11425520.251.75
Dibutyl maleateME11419110.181.82
Striatin CME11427700.221.78
Nordihydroguaiaretic acidME11422680.211.79
BusulfanME11434670.211.79
MelatonineME11422590.211.79
Octadeca-9-ene-1,18-dioic-acidME11425911.450.55
Moracin PME11419081.450.55
LinamarinME11427331.450.55
H-Thr-Leu-OHME11425061.450.55
Bistratamide HME11426081.450.55
7beta-Hydroxycatuabine IME11427841.450.55
12-DeoxywithastramonolideME11422791.450.55
2-NaphthaldehydeME11435191.450.55
(-)-StephabinamineME11436771.460.54
N-AcetylalliinME11432601.460.54
Manglieside BME11429171.460.54
Ethyl isopropyl disulfideME11423871.460.54
EQUILINME11433931.460.54
BexaroteneME11424591.460.54
AlbiflorinME11429651.460.54
Anacardic AcidME11423061.460.54
VindolineME11427691.470.53
Tachiogroside BME11425151.470.53
Physalin YME11435411.470.53
Phe Pro AsnME11429461.470.53
N-Alpha-acetyllysineME11421981.470.53
Mulberroside FME11430351.470.53
LemnaboursideME11429161.470.53
Juglone glucosideME11432391.470.53
gamma-Glutamyl-methionineME11421971.470.53
Comazaphilone CME11425401.470.53
Acanthovagasteroid AME11435321.470.53
BalofloxacinME11434641.470.53
Val ArgME11437331.480.52
Maxima isoflavone GME11428521.480.52
DesmodinME11428461.480.52
Ile IleME11425041.480.52
tryptoquialanolME11428991.500.50
Scutellarein 6-metnyl ether 7-neohesperidosideME11428281.500.50
Remangilone BME11428721.500.50
Mulberroside AME11419181.500.50
MEDIORESINOLME11427651.500.50
LovastatinME11434651.500.50
Crepenynic acidME11425851.500.50
CaffeoylferuloylspermidineME11432091.500.50
AspidocarpineME11424661.500.50
3^-O-beta-Glucopyranosyl plumbagic acid methyl esterME11435781.500.50
10-GingerolME11421061.500.50
2-Sulfamoylacetic AcidME11431751.500.50
Triethyl phosphateME11434731.490.51
(R)-8-Methylsulfinyloctyl isothiocyanateME11435021.490.51
D-1-[(3-Carboxypropyl)amino]-1-deoxyfructoseME11423881.490.51
Hydroxyprolyl-GlutamateME11423851.490.51
ThreonylphenylalanineME11431731.510.49
TecomineME11428791.510.49
Sarmentosin epoxideME11435521.510.49
N2-Succinyl-L-arginineME11436661.510.49
H-Val-Tyr-OHME11430681.510.49
H-Ile-Gln-OHME11425021.510.49
AndrachcinineME11436651.510.49
2-Isobutyl-3-methoxypyrazineME11421301.510.49
7-HydroxymitragynineME11434221.510.49
MG(0:0/20:3(5Z,8Z,11Z)/0:0)ME11431271.520.48
MelphalanME11432251.520.48
Loganic acidME11419311.520.48
GlutaminyltryptophanME11433141.520.48
Broussonin EME11418601.520.48
Allocholic acidME11421121.520.48
alpha-Linolenoyl EthanolamideME11424941.520.48
Leu-Val-GlyME11434911.540.46
julocrotineME11436521.540.46
HesperidinME11420831.540.46
1-beta-D-glucopyranosyl-L-tryptophanME11427621.540.46
Hedaol BME11425841.540.46
Proscillaridin AME11422731.530.47
IndoleME11422631.530.47
4-Methylumbelliferyl-beta-D-xylopyranosideME11418571.530.47
7,8,3^,4^,5^-Pentamethoxy-6^^,6^^-dimethylpyrano[2^^,3^^:5,6]flavoneME11435931.530.47
MonooleinME11420901.560.44
Gliocladinin AME11426101.560.44
CarlinosideME11426071.560.44
Ajugaciliatin IME11429281.560.44
(+)-12-(2-Cyclopenten-1-yl)-2-dodecanoneME11426471.560.44
AchillamideME11434881.560.44
NorclozapineME11424411.550.45
N-(1-Deoxy-1-fructosyl)valineME11423861.550.45
MG(0:0/18:1(9Z)/0:0)ME11432171.550.45
DemethoxycurcuminME11420931.550.45
FR140423ME11434421.550.45
Tumonoic acid EME11428071.670.33
Trp Phe TyrME11436291.670.33
Leupeptin analogue LVRME11434601.670.33
Broussonetine M1ME11425181.670.33
Ginkgolide CME11420521.670.33
Bullatine AME11418951.680.32
Pestalotiopamide EME11433811.680.32
Poricoic acid BME11419601.640.36
O-methylmalonylcarnitineME11427361.640.36
Fructosyl-lysineME11420861.640.36
Crotafuran AME11429601.640.36
11-HydroxyrankinidineME11436811.640.36
(+/-)-Altenuic acid IIME11436441.640.36
IsoleucylglutamateME11434271.650.35
1,2,3-TrimethoxynaphthaleneME11425081.650.35
3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-eneME11424891.650.35
Sesbanimide AME11435541.660.34
N-Fructosyl isoleucineME11424101.660.34
brasilidine AME11429561.660.34
His Tyr ArgME11437201.660.34
Tris(1-chloro-2-propyl)phosphateME11424071.610.39
TetradecanoylcarnitineME11423391.610.39
QuinaprilME11429951.610.39
Maohuoside AME11420041.610.39
4-(3-AMINO-2-HYDROXYPROPOXY)PHENYLACETAMIDEME11429311.610.39
LinarinME11419161.610.39
Saikogenin FME11420171.620.38
L-Citramalic acidME11421721.620.38
EuonisideME11437151.620.38
Ethyl propyl disulfideME11432711.620.38
(1S,2R)-O-MethylnyasicosideME11427911.620.38
2-palmitoleoyl-glycerolME11426591.620.38
3-Oxo-4,6-choladien-24-oic acidME11420481.630.37
N,N^-bis[(S)-1-methoxycarbonylethyl]fumaric diamideME11433751.630.37
Vicibactin-7101ME11433801.600.40
Cascaroside DME11434611.600.40
2-Linoleoyl GlycerolME11424921.600.40
BiotinME11430711.600.40
StreptonigroneME11435861.590.41
N-Palmitoyl LysineME11431691.590.41
4-Hydroxyhippuric acidME11431011.590.41
HimbacineME11427601.590.41
OospolactoneME11425771.580.42
Obscurolide A1ME11436801.580.42
N2-FructopyranosylarginineME11431531.580.42
LysyltryptophanME11433001.580.42
Hydroxyprolyl-IsoleucineME11432551.580.42
11-Beta-hydroxyandrostenedioneME11420601.580.42
3-Hydroxyhept-4-enoylcarnitineME11431391.580.42
(-)-SyringaresinolME11419891.570.43
LeuhistinME11426361.570.43
Hygromycin AME11435581.570.43
Kadsuphilol GME11426811.570.43
BufalinME11418561.820.18
1-Dodecanesulfonic acid, 1-hydroxy-3-oxo-ME11433221.830.17
GlycerylmonooleateME11423701.830.17
RauwolscineME11424091.810.19
4-HydroxyestroneME11420631.810.19
Moracin CME11430901.810.19
Tyr Asn TyrME11436141.790.21
Protoconstipatic acidME11429011.790.21
AlimemazineME11430831.790.21
PoncirinME11419121.790.21
SwertiajaponinME11421561.800.20
N-Acetyl-leucyl-leucineME11430001.800.20
fluoxymesteroneME11436971.800.20
EnalaprilatME11423081.800.20
ArborineME11421191.800.20
carisoprodolME11429231.800.20
MG(18:1(11Z)/0:0/0:0)ME11431591.700.30
2^-AcetylacteosideME11419741.700.30
gamma-Glutamylaspartic acidME11431901.700.30
Ser Val LeuME11435051.710.29
N1,N10-DiferuloylspermidineME11432241.710.29
MontanolME11429431.710.29
MG(0:0/18:3(6Z,9Z,12Z)/0:0)ME11432751.710.29
Lys LeuME11435151.710.29
Arg LeuME11427431.710.29
Caloxanthin sulfateME11435271.710.29
(E/Z)-Ginkgolic acid C17:2ME11420071.720.28
Sporovexin CME11427491.720.28
ThreonylhydroxyprolineME11431911.780.22
Prolyl-HistidineME11431241.770.23
Pentadeca-5,12-dienoylcarnitineME11431811.770.23
Microhelenin EME11425571.770.23
3^-HydroxypuerarinME11419661.770.23
Heitziamide BME11435491.770.23
Luteolin 5-O-glucosideME11420121.760.24
7,8-DihydroxyflavoneME11420921.760.24
Chabrolohydroxybenzoquinone CME11426021.760.24
Isoscoparin 4^-O-glucosideME11428561.730.27
Anthriscifolcine AME11436611.730.27
3beta,4alpha,13alpha-TrihydroxylupanineME11437301.730.27
5-Methyl-2^-deoxycytidineME11431091.730.27
N-(1-Deoxy-1-fructosyl)leucineME11431821.750.25
MG(0:0/20:2(11Z,14Z)/0:0)ME11432501.750.25
2^-HydroxydaidzeinME11421151.750.25
Arisugacin CME11436301.750.25
N-Stearoyl LysineME11433331.740.26
5-Ethynyl-5^-(1-propynyl)-2,2^-bithiopheneME11433501.740.26
ComplanatusideME11418971.740.26
PhyllanthinME11418981.990.01
N-Stearoyl AsparagineME11432921.970.03
12-EpinapellineME11419881.970.03
Neoenactin NL2ME11436741.970.03
VictoxinineME11436281.980.02
3-(Octyloxy)propan-1-amineME11424311.980.02
Broussonetine JME11435311.980.02
5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetateME11427781.960.04
HydrocinchonineME11424651.960.04
ConfluentinME11427121.950.05
DopexamineME11432541.950.05
JuncutolME11427091.940.06
Keyakinin BME11429531.940.06
AsperulosideME11420291.880.12
HIERACINME11428171.870.13
(+)-PeusedanolME11419361.870.13
ArterolaneME11431481.860.14
Erythrophloin DME11427611.860.14
ZolmitriptanME11424601.850.15
HoladysenterineME11436191.850.15
Trp Ile HisME11426041.850.15
WestcortME11424621.920.08
Niga-ichigoside F1ME11419431.920.08
benzquinamideME11437181.920.08
CorroleME11431931.920.08
Deoxycorticosterone acetateME11420511.930.07
SongorineME11430501.930.07
Tri(butoxyethyl)phosphateME11434701.910.09
N-(1-Deoxy-1-fructosyl)histidineME11432191.910.09
His PheME11437071.910.09
MycaleoximeME11427641.910.09
Licochalcone BME11421511.900.10
GuaijaverinME11430801.900.10
7-hydroxyolanzapineME11431311.900.10
3b-hydroxy-5-cholenoic acidME11421881.900.10
4-Methoxy-2-methyl-N-phenylanilineME11434391.900.10
Kermadecin EME11435291.890.11
N-(3-Oxooctanoyl)-DL-homoserine lactoneME11430241.890.11
SyringinME11418711.180.82
SphaeranthanolideME11425391.180.82
PyridoxineME11420571.180.82
PhenylacetylglycineME11422391.180.82
Nummularine FME11436431.180.82
Nopalinic acidME11433281.180.82
N-AcetylaspidospermidineME11436151.180.82
Methiocarb-sulfoxideME11434741.180.82
LeupeptinME11428331.180.82
Hyacinthacine C1ME11427291.180.82
homoarginineME11421911.180.82
His Thr LysME11429611.180.82
FevipiprantME11432041.180.82
Epigallocatechin 5,3^,5^-trimethyl ether 3-O-gallateME11435941.180.82
Ecgonine methyl esterME11425091.180.82
Diffractaic acidME11430531.180.82
ChloroxuronME11434401.180.82
CardiobutanolideME11435141.180.82
CapsiateME11421541.180.82
Asymmetric dimethylarginineME11423301.180.82
2^-O-MethyladenosineME11420761.180.82
1,3,2-Dioxathiolane 2,2-dioxideME11433031.180.82
(1R,5aS,6R)-1,4,5,5a,6,9-hexahydrophenazine-1,6-dicarboxylic acidME11436551.180.82
SarsasapogeninME11430751.190.81
RoccellinME11434571.190.81
Prolyl-tyrosineME11426261.190.81
Premithramycin A1ME11428151.190.81
OfloxacinME11424781.190.81
L-NorleucineME11421581.190.81
Grevilloside BME11424911.190.81
GeniposideME11420131.190.81
EnzastaurinME11433341.190.81
D-alpha-Tocopherol acetateME11422951.190.81
9-HydroxygeranyllinalolME11425251.190.81
9,10-EOTME11424961.190.81
5-(1-oxopropan-2-yl)isolongifol-5-eneME11426461.190.81
3-[(2-Oxoacetyl)oxy]-4-(trimethylazaniumyl)butanoateME11431491.190.81
4-(Dimethylamino)butyl carbamimidothioateME11433041.190.81
SuccinyladenosineME11424881.170.83
SterigmatocystinME11428371.170.83
Stemaphylline N-oxideME11435101.170.83
Orcinol gentiobiosideME11420031.170.83
NingpeisineME11436361.170.83
MITOMYCIN CME11433831.170.83
LuseogliflozinME11432621.170.83
IsocitrateME11422451.170.83
HarmolME11421181.170.83
GlucovanillinME11421381.170.83
Diprotin AME11433741.170.83
DHP-mOx-NS-DHBME11427751.170.83
Decahydro-2-naphthoic acidME11427251.170.83
DarutosideME11419071.170.83
CoronaridineME11430341.170.83
Benzyl edtaME11433291.170.83
AxitinibME11426711.170.83
AdrenosteroneME11422911.170.83
8-methyltetraphene-1,5,6,11,12-pentolME11427111.170.83
6,7,8-TrihydroxycoumarinME11426641.170.83
4,7-Dimethoxy-1-vinyl-beta-carbolineME11428511.170.83
13-OxoODEME11424521.170.83
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dienME11425111.170.83
Schaftoside 4^-O-glucosideME11429191.160.84
RaloxifeneME11426311.160.84
Phenylpropiolic acidME11422341.160.84
NeosolaniolME11434771.160.84
N-decanoyl-L-Homoserine lactoneME11425031.160.84
MelezitoseME11434061.160.84
LysoPE(0:0/18:3(9Z,12Z,15Z))ME11423651.160.84
LysoPC(18:2(9Z,12Z)/0:0)ME11423561.160.84
LiensinineME11433481.160.84
Izumiphenazine AME11435671.160.84
Gymnasterone DME11430091.160.84
Gama-glutamylalanineME11421941.160.84
Eupalinolide OME11418631.160.84
EsculinME11423141.160.84
Asp-TrpME11435091.160.84
Arg Asp MetME11435791.160.84
AmfenacME11424451.160.84
Ala-Asp-ProME11437261.160.84
6-ThiourateME11433241.160.84
2-amino-1,3,4-tetradecanetriolME11434781.160.84
3,5-DihydroxyphenylglyoxylateME11426141.160.84
Phe Leu ArgME11436111.120.88
OdorineME11436541.120.88
Noradrenochrome o-semiquinoneME11431541.120.88
N-Methylethanolamine phosphateME11425741.120.88
MG(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0)ME11433631.120.88
Methyl linoleateME11421321.120.88
Mansorin BME11426631.120.88
L-FurosineME11431571.120.88
gamma-GlutamyltyrosineME11426291.120.88
Ethyl linoleateME11430421.120.88
Cyclo(4-hydroxy-R-Pro-S-Leu)ME11433781.120.88
ChloriolideME11434831.120.88
AmmelideME11431181.120.88
AmbroxideME11430211.120.88
7-MethyladenineME11436351.120.88
2-linoleoyllysophosphatidylcholineME11424821.120.88
24-methylene-19-norcholesta-1,3,5(10)-trien-3-olME11435331.120.88
20-DeoxyingenolME11430151.120.88
1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acidME11422741.120.88
1-18:3-lysoPCME11426531.120.88
12-DemethylmultiorthoquinoneME11429251.120.88
Trp Met HisME11436721.130.87
Tricalysioside SME11436461.130.87
sn-Glycero-3-phosphocholineME11420641.130.87
Pro Gln HisME11428821.130.87
PizotylineME11437231.130.87
Phenethyl ferulateME11419761.130.87
NeoamphimedineME11427511.130.87
N-DemethylricinineME11422751.130.87
Methylophiopogonanone BME11419551.130.87
Methyl deacetylasperulosidateME11418691.130.87
Metachromin UME11426561.130.87
LysoPC(18:1(9Z)/0:0)ME11423671.130.87
JACAGLABROSIDE BME11434021.130.87
IsobiflorinME11428121.130.87
Irisoid DME11436791.130.87
Forsythoside EME11419901.130.87
FlucytosineME11434481.130.87
Coniochaeton AME11435981.130.87
Acetaminophen glucuronideME11431141.130.87
7-AcetyllycopsamineME11424121.130.87
6-MethyluracilME11422931.130.87
(3R)-Vestitol 7-O-glucosideME11429941.130.87
3-(2-Hydroxyphenyl)propanoic acidME11422031.130.87
25R-Spirostan-4-ene-3,6,12-trioneME11429581.130.87
12-DehydroporsonME11433711.130.87
1-HydroxybenzotriazoleME11434491.130.87
Valeryl-carnitineME11424211.140.86
Thiazole, 4,5-dihydro-2,4,4-trimethyl-ME11433591.140.86
SundiversifolideME11426961.140.86
Rhodamine BME11426821.140.86
Picolinic acidME11422481.140.86
Picealactone CME11428691.140.86
N-Acetyl-L-glutamate 5-semialdehydeME11426791.140.86
LysoPE(18:2w6/0:0)ME11424841.140.86
LysoPC(18:3(6Z,9Z,12Z)/0:0)ME11423491.140.86
InolitazoneME11433441.140.86
Hygric acidME11421371.140.86
His Asn GlyME11427821.140.86
HaplomyrtinME11429381.140.86
GlycylprolineME11421591.140.86
FumifunginME11435571.140.86
Fiscalin B_130006ME11434631.140.86
Epilumaflavanone AME11429801.140.86
(E)-2-(Methoxycarbonylmethyl)butenedioateME11436171.140.86
DercitamideME11427771.140.86
DehydropachyrrhizoneME11435921.140.86
Corallopyronin BME11436731.140.86
3-(3-Hydroxyphenyl)propionic acidME11421871.140.86
2,5-FurandicarboxylateME11428261.140.86
1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholineME11428351.140.86
12-OPDAME11424971.140.86
1-Anilino-9,10-dioxo-2-anthroic acidME11437251.140.86
trans-CinnamateME11427071.150.85
[R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-oneME11425891.150.85
Oxoglutaric acidME11429471.150.85
N-Dimethyl-2-aminoethylphosphonateME11436031.150.85
N2-Acetyl-L-aminoadipate semialdehydeME11426381.150.85
LysoPE(0:0/16:0)ME11424861.150.85
LysoPC(20:2)ME11428031.150.85
Kainic acidME11420351.150.85
GaultherinME11430951.150.85
ErdafitinibME11433391.150.85
Eicosa-5,8,11,14-tetraenoic acid 1,3-dihydroxypropan-2-yl esterME11431581.150.85
(E,E)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acidME11429121.150.85
Cysteinyl-HistidineME11431511.150.85
CinmethylinME11425301.150.85
Beta-ZearalanolME11419321.150.85
Arg Phe ThrME11425981.150.85
Arginine propyl esterME11424481.150.85
[8]-GingerolME11427541.150.85
6,7,8,3^,4^,5^-HexamethoxyisoflavoneME11436221.150.85
5-hydroxyfuran-2-carboxylic AcidME11429681.150.85
3-Deamino-3-hydroxykanamycin XME11428751.150.85
4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoyl ChlorideME11423591.150.85
Urolithin AME11422991.270.73
Strobochrysin-dimethyletherME11425881.270.73
Scapaniapyrone AME11437211.270.73
Penmacric acidME11432641.270.73
PA(12:0(3-OH)/12:0(3-OH))ME11433761.270.73
N(6)-glycyl-L-lysineME11436901.270.73
Lucidamine AME11427671.270.73
DesoxyrhaponticinME11421271.270.73
AilanthoneME11419271.270.73
ClotrimazoleME11426301.270.73
Xestodecalactone CME11426911.260.74
Taxifolin 3-methyl etherME11429521.260.74
SarraceninME11419481.260.74
Pandangolide 1ME11427891.260.74
PaeonolideME11419711.260.74
Oncostemonol FME11435281.260.74
MG(0:0/20:1(11Z)/0:0)ME11433361.260.74
LoganinME11419211.260.74
GlutamylglycineME11423521.260.74
Crenulatoside CME11435701.260.74
CitrininME11419301.260.74
Arg-OEtME11429851.260.74
Arachidonyl alcoholME11425261.260.74
1-MethylxanthineME11422141.260.74
4-HydroxyprolineME11421601.260.74
Vicenin-1ME11418751.250.75
Puerarin 6^^-O-XylosideME11419501.250.75
N,N-DimethyldodecylamineME11424691.250.75
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEME11424551.250.75
N6,N6-DimethyladenosineME11431121.250.75
N-(2-Furoyl)glycineME11434441.250.75
Indoleacrylic acidME11421701.250.75
Cyclo(his-pro)ME11420741.250.75
CardiosperminME11435871.250.75
Brachystemidine CME11436491.250.75
9-[(methylthio)nonyl]thiohydroximic acidME11435711.250.75
4-CarboxypyrazoleME11420561.250.75
4,5-Dihydromelampodin BME11436241.250.75
1-O-Oleyl LPAME11428481.250.75
4,4-Difluoropregn-5-ene-3,20-dioneME11425171.250.75
ZingeroneME11421231.200.80
Trp TrpME11429031.200.80
SauchinoneME11430291.200.80
PirbuterolME11425051.200.80
Picroside IIIME11419781.200.80
NordercitinME11425931.200.80
MaltotrioseME11429861.200.80
KopsilongineME11436511.200.80
Indole-3-acetaldoximeME11431061.200.80
IncensoleME11422861.200.80
His-TrpME11428011.200.80
Glycyl-TyrosineME11431791.200.80
GlycylprolylarginineME11431281.200.80
Genipin 1-beta-D-gentiobiosideME11430221.200.80
(+)-EpiexcelsinME11428551.200.80
(E)-5-O-Cinnamoylquinic acidME11430391.200.80
D,L-ButhionineME11431631.200.80
benzyl styryl sulfoneME11432071.200.80
9(Z),11(E),13(E)-Octadecatrienoic Acid methyl esterME11428311.200.80
4-NitrophenolME11434371.200.80
4-MethyldaphnetinME11419131.200.80
3-hydroxydecanoylcarnitineME11435131.200.80
3alpha-HydroxyoreadoneME11425321.200.80
3,7-Dihydroxy-2,4-dimethoxyphenanthrene 3-O-glucosideME11435801.200.80
1-MethylguanosineME11431131.200.80
2,3-DihydrofarnesolME11435471.200.80
Tsitsikammamine AME11434591.210.79
Tricalysioside TME11426051.210.79
PC(22:1(13Z)/16:1(9Z))ME11423711.210.79
Paederosidic acid methyl esterME11419941.210.79
Pabularin CME11426061.210.79
Ophiopogonone CME11426321.210.79
Omeprazole sulfoneME11430821.210.79
N-Caffeoyl O-methyltyramineME11419291.210.79
L-phenylalanyl-L-prolineME11425821.210.79
L-KynurenineME11422571.210.79
IsoferulaldehydeME11425761.210.79
Glu-ProME11429141.210.79
FumarycarnitineME11432651.210.79
Flavine mononucleotide (FMN)ME11424851.210.79
(+)-Epilupinine N-oxide acetate esterME11425071.210.79
Denticulatin BME11424631.210.79
Caperatic acidME11434581.210.79
Benzoyl cyanideME11425711.210.79
8-(3,3-Dimethylallyl)spatheliachromeneME11436751.210.79
4-OxopentanoylcarnitineME11431981.210.79
4-guanidinobutanoateME11421901.210.79
3-MethyladenineME11425721.210.79
2,6-Diaminoheptanedioic acidME11421861.210.79
(2E,4E)-1-(Pyrrolidin-1-yl)dodeca-2,4-dien-1-oneME11428211.210.79
Virescenoside QME11428631.240.76
TrifluridineME11431841.240.76
SerotoninME11422611.240.76
Pedatisectine DME11435431.240.76
L-isoleucyl-L-prolineME11426511.240.76
Indolelactic acidME11421711.240.76
Indole-3-carboxylic acidME11422421.240.76
hydroquinidineME11434121.240.76
DiosgeninME11420361.240.76
DecursinME11420231.240.76
CV1808ME11430731.240.76
4^-MethylacetophenoneME11420991.240.76
3-MethylindoleME11422431.240.76
3,4-Dicaffeoyl-1,5-quinolactoneME11432261.240.76
2,3-Dimercapto-1-propanol tributyrateME11431781.240.76
(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinateME11428061.240.76
trans-Ferulic acidME11422011.220.78
trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthraceneME11436071.220.78
Thr GluME11435751.220.78
ShikoninME11419141.220.78
Phenylalanylaspartic acidME11423571.220.78
MG(0:0/i-17:0/0:0)ME11432081.220.78
MG(0:0/i-16:0/0:0)ME11432381.220.78
LemborexantME11432351.220.78
GuanineME11424061.220.78
Glycosmisic AcidME11428181.220.78
FraxinelloneME11422721.220.78
Bussealin EME11427131.220.78
AurapteneME11421051.220.78
4-Feruloylquinic acidME11421141.220.78
1,2-Bis(diphenylphosphino)ethaneME11431951.220.78
3^,4^,5^,5,7-PentamethoxyflavoneME11420971.220.78
(Z)-Octadec-12-ene-8,10-diynoic acidME11425011.230.77
Valyl-Gamma-glutamateME11431401.230.77
TryptopholME11422581.230.77
TriacetinME11420671.230.77
Ricinoleic acidME11421691.230.77
Praeruptorin BME11418901.230.77
PhenobarbitalME11424261.230.77
N-Stearoyl GlutamineME11431551.230.77
Norvaline betaineME11424241.230.77
N5-Methyl-L-glutamineME11436381.230.77
N-(3-Oxotetradecanoyl)-DL-homoserine lactoneME11419051.230.77
MespirenoneME11433671.230.77
meso-Dihydroguaiaretic acidME11420251.230.77
LysoPC(16:1(9Z)/0:0)ME11423761.230.77
LysoPA(20:2(11Z,14Z)/0:0)ME11432981.230.77
(+)-Ixerin HME11426841.230.77
His Asn ThrME11426971.230.77
GEIR-1ME11427271.230.77
FerutininME11419251.230.77
DehydrocorydalineME11430491.230.77
Biotin sulfoxideME11437031.230.77
Asparagine methyl esterME11434551.230.77
8-Amino-3,8-dideoxy-D-manno-octulosonateME11428301.230.77
4-GuanidinobutanalME11435381.230.77
1-dodecylglycerone 3-phosphateME11428451.230.77
2-Quinoxalinol, 3-methyl-, 2-formateME11432271.230.77
Trp Phe GluME11435301.430.57
Tormentic acidME11420181.430.57
SerylleucineME11434261.430.57
L-SelenoMethionineME11430741.430.57
HistidylleucineME11428161.430.57
GlutamineME11433951.430.57
Citrinalin BME11428341.430.57
7-Aminocephalosporanic acidME11432991.430.57
(3,4,5-trihydroxy-6-methyloxan-2-yl) 2-(methylamino)benzoateME11433901.430.57
(6R,9R)-RoseosideME11426701.430.57
SwerosideME11420221.440.56
N-Linoleoyl HistidineME11432111.440.56
N-AcetylornithineME11420891.440.56
N-ACETYLNEURAMINATEME11434331.440.56
Methyl pentyl disulfideME11432701.440.56
FluvastatinME11436841.440.56
5^-MethylthioadenosineME11422071.440.56
Cudraflavanone BME11429571.440.56
xi-1-(Propylthio)-1-propanethiolME11432561.410.59
TetrahydrocortisoneME11420431.410.59
ResibufogeninME11418861.410.59
MonamidocinME11429511.410.59
L-MethionineME11422521.410.59
IsosilychristinME11432181.410.59
HarmaneME11429541.410.59
Hapalindole GME11436681.410.59
FenitropanME11436051.410.59
Asn Thr HisME11425431.410.59
5-HydroxytryptopholME11422381.410.59
Aloe-emodin-8-O-beta-D-glucopyranosideME11421071.410.59
(Z)-5,8,11-trihydroxyoctadec-9-enoic acidME11423971.420.58
Ustiloxin FME11436501.420.58
THTCME11426171.420.58
Shanzhiside methyl esterME11419401.420.58
NorthalifolineME11428931.420.58
Leucyl-AlanineME11434361.420.58
LeucosideME11420111.420.58
HypusineME11436691.420.58
Cimiracemoside DME11430201.420.58
Asn Gln GlnME11426871.420.58
8-Epideoxyloganic acidME11419411.420.58
9-MethoxyellipticineME11436321.420.58
Sinapinic acidME11418841.380.62
SinapaldehydeME11419631.380.62
S-AdenosylhomocysteineME11421761.380.62
Retinoic acidME11430641.380.62
Pyriferine AME11428271.380.62
OlivetolME11418811.380.62
OleuropeinME11430891.380.62
N-(1-Deoxy-1-fructosyl)serineME11432151.380.62
Indicanine CME11427151.380.62
HeptadecatrienalME11425561.380.62
Erlangerin AME11436011.380.62
Dulciol DME11427141.380.62
CroomineME11427921.380.62
5-MethylangelicinME11435171.380.62
4-HydroxyacetophenoneME11420311.380.62
3-MethylguanineME11437051.380.62
1-Hydroxy-2-naphthaldehydeME11435821.380.62
2-Butyl-3-phenyl-2-propen-1-alME11423811.380.62
O-acryloyl-L-carnitineME11436391.370.63
N1-methyladenosineME11422101.370.63
MemantineME11435421.370.63
Linoleamide MEAME11425231.370.63
Justicidin GME11434211.370.63
Ethyl gallate 4-glucuronideME11432661.370.63
Bistratamide EME11435731.370.63
bis-(4-hydroxybenzyl)sulfideME11428051.370.63
9-(alpha-D-glucosyl)dihydrozeatinME11434791.370.63
8-Epidiosbulbin E acetateME11419921.370.63
6-Hydroxy-5-fluorocytosineME11431861.370.63
2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylateME11428801.370.63
3-(3-Amino-3-carboxypropyl)uridineME11423741.370.63
ReutericyclinME11422781.390.61
PF-1052_130138ME11434621.390.61
PalmitoylethanolamideME11422491.390.61
Nigrolineabiphenyl AME11426131.390.61
MatairesinolME11420541.390.61
gamma-glutamylglutamateME11422091.390.61
FlutamideME11434711.390.61
CyclocreatineME11432401.390.61
AdipoRonME11432321.390.61
2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrileME11427031.390.61
[6]-GingerolME11419191.390.61
SclareolME11419541.400.60
Pro Glu IleME11429441.400.60
N,N-Dihydroxy-L-tryptophanME11436041.400.60
IsosaponarinME11420271.400.60
Gemixanthone AME11435111.400.60
Garcimangosone DME11436091.400.60
Ganoderic acid GME11430371.400.60
Episyringaresinol 4^-O-beta-D-glncopyranosideME11418681.400.60
EletriptanME11433191.400.60
DehydroevodiamineME11430861.400.60
Cnidioside AME11425951.400.60
4-(Fluoromethyl)benzoic AcidME11432421.400.60
AcebutololME11434721.400.60
ValyllysineME11426491.340.66
SpironolactoneME11428831.340.66
(R)-RuxolitinibME11433661.340.66
Methionyl-HistidineME11431371.340.66
JayantininME11429371.340.66
IpriflavoneME11420961.340.66
EtimizolME11431611.340.66
Ethyl 3-(methylthio)propanoateME11433181.340.66
Eicosanedioic acidME11435691.340.66
DehydroabietamideME11433941.340.66
Cyclo(L-Phe-L-Pro)ME11418581.340.66
Comazaphilone FME11427681.340.66
Austradiol acetateME11429091.340.66
alpha-Hydrojuglone-4-glucosideME11425201.340.66
2^-O-MethylguanosineME11422351.340.66
5-MethylcoumarinME11428251.340.66
Thr Phe ArgME11429791.330.67
Pro Arg LeuME11436181.330.67
N-methylanthraniloyl-beta-D-glucoseME11428431.330.67
Nicotine glucuronideME11427801.330.67
NeoglycyrolME11421481.330.67
Malvone AME11429981.330.67
L-2-Aminoethyl seryl phosphateME11433351.330.67
IsocycloheximideME11433971.330.67
Gamma-Glu-LeuME11426351.330.67
Fortuneanoside KME11429341.330.67
Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazineME11433301.330.67
CryptotanshinoneME11421531.330.67
alpha-ArbutinME11430561.330.67
Chaulmoogric AcidME11434081.330.67
Vitexdoin CME11425221.360.64
StearoylethanolamideME11430701.360.64
N,N-Dimethyl-lysineME11424181.360.64
Gly-L-PheME11434841.360.64
Dipeptide 2ME11430761.360.64
Casteloside BME11429821.360.64
Biotin hydrazideME11432201.360.64
alpha-Linolenic acidME11421661.360.64
7alpha-ThiomethylspironolactoneME11432831.360.64
2-FluoroethcathinoneME11436571.360.64
5,6-DihydrouridineME11430661.360.64
YaretolME11427971.350.65
Tetracenomycin XME11426401.350.65
PisatosideME11433401.350.65
PerindoprilatME11430871.350.65
Guanidoacetic acidME11423221.350.65
DL-Leucyl-DL-phenylalanineME11421391.350.65
beta-D-Fructose 2-phosphateME11426761.350.65
3^-AcetylindicineME11435911.350.65
5,3^,5^-Trihydroxy-3,6,7,8,4^-pentamethoxyflavoneME11436211.350.65
Tricin 7-glucosideME11423441.280.72
S-Propyl-L-cysteineME11432031.280.72
RoehybridineME11427721.280.72
Podorhizol beta-D-glucosideME11425141.280.72
N-Acetyl-D-mannosaminolactoneME11436891.280.72
MaggiemycinME11429971.280.72
L-CanavanineME11423201.280.72
L-Alanyl-L-prolineME11426891.280.72
isorhamnetin 3-rutinoside-7-glucosideME11431341.280.72
gamma-GlutamylphenylalanineME11421961.280.72
Estradiol-17alphaME11427381.280.72
BullatenoneME11427261.280.72
Brianodin DME11435351.280.72
asc-DeltaC8ME11424981.280.72
2,2,2-TrifluoroethylME11431251.280.72
1,4-D-GulonolactoneME11420301.280.72
1,2-NaphthoquinoneME11436261.280.72
10-DeacetoxybarbilycopodinME11424901.280.72
1,2-dihydroxyheptadec-16-en-4-yl acetateME11434101.280.72
TriptonideME11420101.290.71
Triptocalline AME11429111.290.71
N-VanillyldecanamideME11418881.290.71
NicotinamideME11422461.290.71
N-AcetylmuramateME11427451.290.71
L-Proline, 1-(1-L-leucyl-L-prolyl)-ME11431651.290.71
Leucine methyl esterME11424471.290.71
Kadsuralignan BME11434961.290.71
Imidazol-1-yl-acetic acidME11420621.290.71
Didmolamide BME11428621.290.71
CryptocyaninME11435201.290.71
Creatine ethyl esterME11429691.290.71
BancroftinoneME11421211.290.71
AxerophtheneME11425531.290.71
AcetylloboridinME11434561.290.71
(9Z,12E)-15,16-dihydroxyoctadeca-9,12-dienoic acidME11433891.290.71
5-HydroxytryptophanME11429711.290.71
5-(4,5-Dihydroxypentyl)uracilME11436251.290.71
3-(3-Methoxyphenyl)propionic acidME11420551.290.71
2-Methylcitric AcidME11431031.290.71
1-NitrosonaphthaleneME11426181.290.71
2-Aminooctanoic acidME11426881.290.71
Vanillyl butyl etherME11421311.300.70
Stachyline DME11427011.300.70
SchaftosideME11419221.300.70
Pro Ile TrpME11426691.300.70
NortrachelosideME11418731.300.70
methyl 3,5-di-O-caffeoyl quinateME11429841.300.70
Ergosta-4,6,8(14),22-tetraen-3-oneME11426861.300.70
D-(-)-salicinME11434151.300.70
BaldrinalME11418531.300.70
AdalinineME11425611.300.70
AcetylagmatineME11426201.300.70
3,7-DimethylguanineME11425631.300.70
1-MeO-I3CH2NH2ME11429961.300.70
2^,3^-DideoxyuridineME11433681.300.70
ViridiolME11428961.310.69
TepanoneME11436871.310.69
SalbostatinME11427531.310.69
PiceatannolME11420751.310.69
Pibocin BME11426121.310.69
PamapimodME11426851.310.69
N-Methyl-2-oxoglutaramateME11436911.310.69
MG(0:0/15:0/0:0)ME11431461.310.69
H-Leu-Asn-OHME11425801.310.69
Herbimycin BME11429391.310.69
Hecogenin acetateME11430181.310.69
Dysinosin DME11427731.310.69
Dihydrotanshinone IME11420401.310.69
DicumarolME11436231.310.69
Dictamnoside LME11435371.310.69
Biotin sulfoneME11423001.310.69
beta-SpringeneME11425311.310.69
BaquiloprimME11434751.310.69
4-HADNT O-glucosideME11435851.310.69
4,4^-DihydroxybenzophenoneME11427081.310.69
(2R-trans)-2-Butyl-5-heptyl-pyrrolidineME11436271.310.69
(2-Naphthyl)methanolME11435181.310.69
1-NonanethiolME11432951.310.69
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(3-hydroxy-1-methylbutyl)-ME11432611.310.69
ValylprolineME11423611.320.68
Stearidonic acidME11424991.320.68
Shermilamine DME11430021.320.68
scyllo-Inosamine 4-phosphateME11435901.320.68
MethyldopaME11430721.320.68
IsofebrifugineME11423831.320.68
Hydroxynalidixic acidME11431991.320.68
His Glu AsnME11426091.320.68
DinexME11436761.320.68
DimethylglycineME11422551.320.68
Antibiotic DOB 41ME11435551.320.68
9(S)-HOTrEME11429721.320.68
9-Geranyl-alpha-terpineolME11425271.320.68
7,12-Dimethylbenz[a]anthraceneME11436561.320.68
3,5,7,4^-Tetrahydroxy-3^-methoxy-8-prenylflavanoneME11425961.320.68
5^-O-beta-D-GlucosylpyridoxineME11425211.320.68
ToringinME11419731.100.90
SquamoloneME11432721.100.90
(-)-SlaframineME11432141.100.90
Ser Asp ArgME11429051.100.90
OxypaeoniflorinME11430271.100.90
NepodinME11419151.100.90
LysoPC(15:0/0:0)ME11423421.100.90
LotamilastME11431801.100.90
LongifloroneME11435441.100.90
IsomucronulatolME11428891.100.90
Hyacinthacine A2ME11427871.100.90
HomostachydrineME11426161.100.90
Diacetoxy-6-gingerdiolME11430551.100.90
delta-Guanidinovaleric acidME11427241.100.90
D-5-phenylhydantoinME11433771.100.90
AsulacrineME11431831.100.90
5-oxoprolineME11422321.100.90
5^-N-MethylcarboxamidoadenosineME11433151.100.90
2-Benzimidazolecarbamic acidME11433061.100.90
1-Hydroxy-2,3,4,5-tetramethoxy-xanthoneME11426581.100.90
1-heptadecanoyl-sn-glycero-3-phosphocholineME11425371.100.90
1,1,1,1-KestohexaoseME11420331.100.90
13-cis-RetinolME11426721.100.90
PhaseoloidinME11419911.110.89
NorvalineME11421931.110.89
Norselic acid CME11429271.110.89
NetilmicinME11437121.110.89
N,2,3-Trimethyl-2-(1-methylethyl)butanamideME11433021.110.89
N1-AcetylspermidineME11423021.110.89
Methyl phenyl sulfideME11433311.110.89
MelibioseME11434071.110.89
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)ME11423541.110.89
L-PhenylalanineME11422511.110.89
Louisfieserone BME11427631.110.89
LobeglitazoneME11432791.110.89
KirenolME11419091.110.89
IsorhamnetinME11420731.110.89
FormylfusarochromanoneME11434931.110.89
EpoxymicheliolideME11418991.110.89
D-MannosamineME11422121.110.89
Dimethyl Citric acidME11419261.110.89
colistinME11433731.110.89
cis-7,10,13,16,19-Docosapentaenoic acidME11423321.110.89
ChlorproethazineME11432841.110.89
Caohuoside DME11436951.110.89
albocyclineME11433981.110.89
[6]-DehydroshogaolME11423461.110.89
(3S,5S)-Carbapenam-3-carboxylic acidME11436981.110.89
2,6,6-Trimethyl-2-cyclohexene-1,4-dioneME11425131.110.89
2,3,4,5,2^,6^-Hexamethoxy-3^,4^-methylenedioxychalconeME11426001.110.89
2,2-Dimethyl-6-(1-hydroxyethyl)chroman-4-oneME11430051.110.89
1,2-DiazenedicarboxamideME11433471.110.89
1H-Benzotriazole-5-carboxylic acidME11434471.110.89
TricaprilinME11430621.080.92
Salvianolic acid GME11433161.080.92
Rumphellolide CME11426901.080.92
Pterosin BME11421341.080.92
N-hexadecanoyl-L-Homoserine lactoneME11436991.080.92
(-)-NepetasideME11436121.080.92
MuscarineME11423161.080.92
LupenoneME11420191.080.92
IsotrinervidiolME11426921.080.92
His Ala GlnME11425941.080.92
Gly Arg AspME11425191.080.92
Fluoroquinolone carboxylicME11432001.080.92
feruloylagmatineME11426281.080.92
DihydroartemisininME11419171.080.92
Combretastatin A4ME11419621.080.92
butyrylglycineME11421891.080.92
BetaineME11422441.080.92
Benzofuran ketoneME11432881.080.92
Anhydrovitamin A1ME11426451.080.92
AndrachamineME11435481.080.92
AdenosineME11422501.080.92
9-FluorenoneME11434181.080.92
3-Oxo-7-hydroxychol-4-enoic acidME11420661.080.92
2,6-Dimethoxy-1,4-benzoquinoneME11421171.080.92
2,5-Dimethyl-1,4-dithiane-2,5-diolME11433541.080.92
1-heneicosanoyl-glycero-3-phosphateME11432441.080.92
1-(9Z-Eicosenoyl)-sn-glycero-3-phosphocholineME11423681.080.92
1-DecanethiolME11432901.080.92
XanthoxylinME11421291.090.91
ThreonyltyrosineME11432591.090.91
Soyasapogenol BME11421551.090.91
PhysostigmineME11430971.090.91
Pacificanone AME11425921.090.91
N-Lauroyl AsparagineME11432911.090.91
Nicotinic acid ribosideME11420321.090.91
Naphthgeranin EME11430031.090.91
MG(0:0/14:1(9Z)/0:0)ME11432741.090.91
IsosakuranetinME11420011.090.91
H-TYR-ILE-OHME11426271.090.91
His Gln GlyME11427791.090.91
H-ALA-ALA-PRO-OHME11428381.090.91
Guanidinobutyric acid methyl esterME11424221.090.91
Dihydronortoxiferine IME11429591.090.91
DEHPME11420821.090.91
CycloguanilME11430941.090.91
CivetolME11427341.090.91
AVOCADYNEME11433861.090.91
ArjunetinME11419001.090.91
7,8,3^,4^-TetrahydroxyflavoneME11418511.090.91
4-Methyl-3-oxoadipateME11435231.090.91
2,4-DinitrophenylhydrazineME11437011.090.91
3-(4-Hydroxyphenyl)propionic acidME11421811.090.91
Tetradecyl iodideME11424931.040.96
STROBILACTONE AME11424011.040.96
Schisandrin BME11421091.040.96
Salinipyrone BME11427441.040.96
Rupestonic acidME11430521.040.96
PonicidinME11418791.040.96
Polygalic acidME11419101.040.96
Perilla ketoneME11423101.040.96
OxonantenineME11432361.040.96
N1-(2-Hydroxyethyl)flurazepamME11432491.040.96
MG(0:0/i-13:0/0:0)ME11433511.040.96
Lyso-PAF C-16ME11427711.040.96
HymenoflorinME11429731.040.96
Garcinone CME11420951.040.96
FraxinolME11419851.040.96
(E,E)-2,9,9-Trimethyl-6-methylene-2,7-cycloundecadien-1-oneME11427281.040.96
CystineME11434541.040.96
CarvoneME11436451.040.96
Brachystemidine BME11425501.040.96
4-Isopropyl-2-methylphenolME11425671.040.96
4,5-Dimethoxy-1,2-benzenedicarboxylic acidME11431471.040.96
3-(hexadecyloxy)-2-oxopropyl dihydrogen phosphateME11437291.040.96
3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolideME11429301.040.96
2^-DeoxycytidineME11423331.040.96
1,6,10-Phytatriene-3,5,14,15-tetralME11429181.040.96
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetateME11426661.040.96
VinburnineME11422841.030.97
VerbenoneME11419571.030.97
Trp-Asp-SerME11437171.030.97
TriglymeME11434191.030.97
TashironinME11425411.030.97
Syringic acidME11422601.030.97
StrophanthidinME11419351.030.97
SELENOCYSTAMINEME11434321.030.97
S-aminomethyldihydrolipoamideME11423911.030.97
Roburic acidME11422641.030.97
PodofiloxME11419491.030.97
Octaethylene glycolME11434161.030.97
NystoseME11419371.030.97
N-trans-p-coumaroyloctopamineME11421461.030.97
Nicotinic AcidME11434251.030.97
m-Coumaric acidME11422891.030.97
L-Pipecolic acidME11423231.030.97
LotaustralinME11418941.030.97
LosmapimodME11432341.030.97
KoabursideME11428021.030.97
Kadsulignan LME11428471.030.97
Imazamethabenz-methylME11432531.030.97
HarzianopyridoneME11435501.030.97
Dibutyl sulfosuccinateME11432061.030.97
Dehydroascorbic acidME11420881.030.97
Calystegin B2ME11429131.030.97
BetulinME11420911.030.97
Arphamenin BME11429501.030.97
alpha-AsaroneME11420981.030.97
AcivicinME11431441.030.97
7-DeoxyloganetinME11429401.030.97
4-Hydroxycinnamic acidME11423251.030.97
1-HexadecanethiolME11433421.030.97
3,4-Dimethyl-1,2-cyclopentanedioneME11432431.030.97
ZhepiresinolME11436621.050.95
ValerophenoneME11428651.050.95
Tuberatolide AME11425281.050.95
Tri-isobutyl phosphateME11424081.050.95
SedanolideME11418851.050.95
PicrinineME11430481.050.95
PE(18:1(9Z)/0:0)ME11424831.050.95
OctylamineME11434901.050.95
Nonaethylene glycolME11434171.050.95
N-lauroylethanolamineME11424051.050.95
N4-AcetylsulfadimethoxineME11434521.050.95
Methyl p-tert-butylphenylacetateME11420791.050.95
MagnoshininME11429771.050.95
Licoflavone BME11418551.050.95
L-AllothreonineME11430581.050.95
KifunensineME11422811.050.95
IsoelemicinME11428231.050.95
IndospicineME11437061.050.95
Indole-3-carbinolME11420701.050.95
IndaneME11423471.050.95
Goshonoside F2ME11431941.050.95
FexaramineME11432671.050.95
EpiandrosteroneME11420461.050.95
DecarbamoylneosaxitoxinME11432161.050.95
cis-5-Hydroxypipecolic acidME11435991.050.95
C17-SphinganineME11424541.050.95
Alternarienonic acidME11426731.050.95
alpha-Phocaecholic acidME11425991.050.95
(all-E)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-oneME11432821.050.95
5-[(Diaminomethylidene)amino]-2-(sulfanylmethyl)pentanethioic S-acidME11432211.050.95
3-(3,4-Dihydroxyphenyl)-1-propanolME11426191.050.95
4-AllylcatecholME11420211.050.95
Tyr Arg ThrME11428741.060.94
Trimethylgallic acidME11422221.060.94
(S)-(-)-PhenylethanolME11422691.060.94
Regaloside BME11430161.060.94
ProsopinineME11435511.060.94
Palmitoleoyl EthanolamideME11424511.060.94
octahydropyrrolo[1,2-a]pyrimidineME11434861.060.94
NorharmanME11427951.060.94
N-NitrosopiperidineME11434451.060.94
N-(9-oxodecyl)acetamideME11434141.060.94
N(5)-[1(S)-1-carboxyethyl]-L-ornithineME11423941.060.94
MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0)ME11431381.060.94
Menthyl acetateME11422881.060.94
Incadronic acidME11431661.060.94
Glucosamine 6-sulfateME11430811.060.94
gamma-Linolenic acidME11422411.060.94
gamma-L-Glutamyl-L-pipecolic acidME11432961.060.94
FenoksanME11428771.060.94
Ethyl 5-(methylthio)valerateME11423501.060.94
DG(a-13:0/i-17:0/0:0)ME11431641.060.94
Delta(1,7)-dafachronic acidME11430111.060.94
ChaenorrhinosideME11426931.060.94
BindaritME11424581.060.94
BenzoylagmatineME11436701.060.94
BakankosideME11434981.060.94
AlanylhydroxyprolineME11431721.060.94
AcetaminophenME11424701.060.94
6,8-Di-C-alpha-L-arabinopyranosylapigeninME11429261.060.94
4-HydroxyvoriconazoleME11431601.060.94
4-Hydroxyphenylpyruvic acidME11421791.060.94
4^,5,6-Trimethylscutellarein 7-glucosideME11431361.060.94
3-(4-Hydroxyphenyl)-1-propanolME11423191.060.94
3,3^,4^,5,6,7,8-heptamethoxyflavoneME11430851.060.94
(2S)-2-Amino-3-[(2-chloroacetyl)amino]propanoic acidME11432781.060.94
2-PhenylacetamideME11423351.060.94
(2E)-2-dodecen-1-olME11433091.060.94
2-DodecanoneME11435631.060.94
2,4,6-Trihydroxybenzoic acidME11423151.060.94
19-HydroxyconopharyngineME11436161.060.94
1-Isopropyl citrateME11433321.060.94
Stigmatellin YME11437131.070.93
PeimineME11420151.070.93
OxypeucedaninME11421001.070.93
MussaenosideME11430081.070.93
L-OrnithineME11431171.070.93
H-PRO-ALA-OHME11429661.070.93
Gymnasterone CME11430101.070.93
GriffithineME11437271.070.93
Flustraminol AME11425461.070.93
Flustramine FME11435881.070.93
Eicosapentaenoic acidME11427481.070.93
DrosopterinME11426551.070.93
Diisopropyl sulfideME11432371.070.93
(+/-)-DihydroactinidiolideME11421411.070.93
beta-CitronellolME11436471.070.93
ArtemetherME11420941.070.93
AntigastrinME11431561.070.93
7Z,10Z-Hexadecadienoic acidME11423781.070.93
4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dioneME11433451.070.93
3,5,3^-Trihydroxy-4^-methoxy-6,7-methylenedioxyflavoneME11426671.070.93
2-Oleoyl-sn-glycero-3-phosphocholineME11424811.070.93
1-Amino-2-methylanthraquinoneME11424281.070.93
1-MethylpseudouridineME11431101.070.93
TrixagotriolME11425481.001.00
Thioridazine 5-sulfoxideME11437101.001.00
SulfadoxineME11430651.001.00
Senkyunolide HME11419281.001.00
Sabinic acidME11422051.001.00
(S)-9-Hydroxy-10-undecenoic acidME11423731.001.00
RiboflavinME11420721.001.00
PyridoxamineME11428391.001.00
PraziquantelME11424731.001.00
ParthenolideME11419241.001.00
OxysophocarpineME11430231.001.00
Obscuraminol AME11427401.001.00
N,N^-DicyclohexylureaME11429991.001.00
NeuNGcME11433571.001.00
N-AcetylprolineME11421611.001.00
Methyl palmitateME11423071.001.00
Methyl cholateME11422761.001.00
MaltotetraoseME11420841.001.00
HydroxychloroquineME11431231.001.00
His Thr GlnME11427161.001.00
His HisME11430061.001.00
FenethyllineME11423641.001.00
Ethylmalonic acidME11422021.001.00
ethyl-4-hydroxymethyl- 3(2H)-FuranoneME11432891.001.00
EPIISOPILOTURINEME11432051.001.00
Dodecanedioic acidME11422191.001.00
Dibutyl adipateME11425541.001.00
DesmethyldiaportinolME11428671.001.00
CP-863187ME11424341.001.00
CiticolineME11420851.001.00
BenzophenoneME11422331.001.00
Bakkenolide AME11419011.001.00
AnisomycinME11430381.001.00
ACENAPHTHYLENEME11435831.001.00
9,10-DihydrophenanthreneME11425621.001.00
8H-cyclopenta[a]acenaphthyleneME11429921.001.00
6-Hydroxynicotinic acidME11422531.001.00
4-EthylphenolME11420451.001.00
4^-DemethylpodophyllotoxinME11418891.001.00
(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-olME11428531.001.00
3-Hydroxy-4-(3-methyl-2-butenyl)bibenzylME11435721.001.00
3,7-Epoxycaryophyllan-6-OlME11424041.001.00
3,4-DihydroxyphenylethyleneglycolME11425121.001.00
1-heptadecylglycerone 3-phosphateME11436831.001.00
(2R)-2-(2-Hydroxyhydrazinyl)-3-sulfanylidenepropanoic acidME11423901.001.00
trans,trans-2,4-DecadienalME11420141.010.99
ThymidineME11422541.010.99
SyringaldehydeME11426991.010.99
SinapoylagmatineME11434281.010.99
Pro IleME11426371.010.99
PinostilbeneME11420051.010.99
Pinoresinol dimethyl etherME11419651.010.99
PhyllurineME11436641.010.99
ParamethadioneME11433011.010.99
PanthenolME11422231.010.99
OleamideME11422251.010.99
NorfuraneolME11433611.010.99
Myxopyronin BME11436601.010.99
Musk ambretteME11429361.010.99
Methyl palmitoleateME11422661.010.99
LysoPC(14:0/0:0)ME11420711.010.99
Lycocernuine N-oxideME11436941.010.99
Lepadiformine BME11434811.010.99
His Pro AsnME11429641.010.99
gamma-Glutamyl-2-aminobutyric acidME11423631.010.99
Cytosporin CME11429151.010.99
Cytochalasin Z5ME11426391.010.99
CimifuginME11418831.010.99
Carnosic AcidME11434131.010.99
(-)-Camphoric acidME11420001.010.99
BixinME11430841.010.99
BetonicineME11424201.010.99
AndrachcineME11428201.010.99
AncistroquinoneME11437311.010.99
alpha-D(+)Mannose 1-phosphateME11426611.010.99
5-Hydroxymethylfurfuryl alcoholME11435951.010.99
5-Hydroxy-8-methoxycalameneneME11426481.010.99
4-methylthiobutyldesulfoglucosinolateME11432771.010.99
4-ChlorobenzophenoneME11434461.010.99
3-TigloyloxynortropaneME11435161.010.99
3-MethoxyflavoneME11418781.010.99
3-AminoacetophenonME11424711.010.99
3,5-Dimethyl-2-(3-pyridyl)thiazolidin-4-oneME11433081.010.99
1F-FructofuranosylnystoseME11420341.010.99
3-(3,4,5-Trimethoxyphenyl)propanoic acidME11420411.010.99
trans-3-Hydroxycotinine glucuronideME11431321.020.98
SylvisideME11437241.020.98
Phenol glucuronideME11431501.020.98
OxyresveratrolME11418961.020.98
NootkatoneME11430771.020.98
N-formylanthranilic acidME11421921.020.98
N-Desmethyl SildenafilME11423121.020.98
MG(0:0/i-15:0/0:0)ME11432021.020.98
LysoPC(20:4(5Z,8Z,11Z,14Z)/0:0)ME11423481.020.98
Kankanoside CME11429831.020.98
IrbesartanME11424741.020.98
Goniothalesdiol AME11426741.020.98
eupomatenoid 5ME11434041.020.98
DianthosideME11425291.020.98
Cyclic N-Acetyl-D-mannosamineME11422081.020.98
Clavatoic acidME11427901.020.98
Citraconic acidME11423381.020.98
cis-Stilbene oxideME11428241.020.98
cis-AcetylacrylateME11437041.020.98
Butyl isobutyl phthalateME11419441.020.98
Betaenone EME11427561.020.98
AyapinME11426211.020.98
Arg Phe AlaME11427661.020.98
AndrachcinidineME11424461.020.98
4^,5,7-TrimethoxyflavoneME11420781.020.98
3,5-Dimethyl-1,2-cyclopentanedioneME11433521.020.98
3,5-dihydroxydecanoic acidME11434091.020.98
20-hydroxy-fusarinME11429751.020.98
2-[[2-[(Dimethylamino)methyl]phenyl]thio]-5-fluoroanilineME11431431.020.98
trans-Isoferulic acidME11421360.961.04
Thonningine AME11435120.961.04
SpathulenolME11430910.961.04
SophocarpineME11430170.961.04
ScensidinME11436860.961.04
SalidrosideME11422160.961.04
SalbutamolME11424760.961.04
(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzeneME11425360.961.04
porphyrin-5,15-diolME11427590.961.04
p-OctopamineME11431050.961.04
N-Benzoyl-(2R,3S)-3-phenylisoserineME11430360.961.04
N-Acetylgalactosamine 4-sulphateME11431410.961.04
methyl 3-(3,4-dihydroxy-5-phenyloxolan-2-yl)-3-hydroxypropanoateME11433840.961.04
MethamphetamineME11424430.961.04
LysoPE(0:0/20:2(11Z,14Z))ME11436130.961.04
L-Glutamic acid 5-benzyl esterME11432680.961.04
FluasteroneME11432330.961.04
(Ethoxymethyl)benzeneME11422970.961.04
D-MannoheptuloseME11418610.961.04
Cistanoside FME11420020.961.04
Brombyin IIME11428680.961.04
BigelovinME11419520.961.04
all-trans-4-Oxoretinoic acidME11420420.961.04
5-MethoxymaculineME11436330.961.04
3-O-AngeloylsenecioodontolME11430120.961.04
3-Aminosalicylic acidME11431020.961.04
3-(1H-Indol-3-yl)quinolineME11435030.961.04
2-(4-Morpholinyl)benzothiazoleME11424680.961.04
2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanoneME11425790.961.04
10R,13aR-Tylophorine N-oxideME11437220.961.04
(20R)-ProtopanaxadiolME11419340.961.04
Tris(2,4-di-tert-butylphenyl)phosphateME11420390.971.03
Triphenylphosphine oxidME11427410.971.03
TRIPHENYL PHOSPHATEME11431190.971.03
trans-ChalconeME11419980.971.03
SuberylglycineME11431200.971.03
SanteneME11425700.971.03
PosoqueninME11435760.971.03
Phenyllactic acidME11421750.971.03
Phenolic phosphateME11436580.971.03
MTHPAME11426800.971.03
Melophlin DME11428700.971.03
Lanyuamide IIIME11427390.971.03
Kojic acidME11423050.971.03
D-Fructofuranose 1,2^:2,3^-dianhydrideME11428400.971.03
CyperotundoneME11432450.971.03
cspyrone B1ME11436670.971.03
AcridineME11434680.971.03
9-O-MethylneodunolME11425860.971.03
5-(Methoxycarbonyl)thiophene-2-carboxylic acidME11431710.971.03
5-HydroxyisourateME11432280.971.03
4-(Dimethylamino)phenylthiocyanateME11434380.971.03
4-(Diethylamino)benzaldehydeME11427940.971.03
4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanolME11423620.971.03
3-Dimethylallyl-4-hydroxymandelic acidME11428580.971.03
2-Hydroxy-4-methoxybenzaldehydeME11419700.971.03
2^-Hydroxy-3,4,4^,6^-tetramethoxychalconeME11435610.971.03
2-(Benzo[d][1,3]dioxol-5-yl)-1-methylquinolin-4(1H)-oneME11430920.971.03
1h,8h-Pyrano[3,4-c]pyran-1,8-dioneME11423510.971.03
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamideME11435040.971.03
1,8-Dihydroxy-3-methylnaphthaleneME11425750.971.03
1,3,8-NaphthalenertriolME11428080.971.03
1,8-Diazacyclotetradecane-2,9-dioneME11426220.971.03
TrovafloxacinME11435560.991.01
Sucutinirane DME11428040.991.01
Pregnan-21-alME11436370.991.01
ParadolME11421330.991.01
Oncostemonol GME11434870.991.01
oleoyl ethanolamideME11422470.991.01
N,N-DimethylanilineME11427210.991.01
Methyl dihydrojasmonateME11422180.991.01
LipoyllysineME11433410.991.01
Hexadecanedioic acidME11422270.991.01
H-Arg-Lys-OHME11423030.991.01
Glutaric acidME11431000.991.01
EnfluraneME11432630.991.01
DodecanamideME11429700.991.01
CurdioneME11421260.991.01
cotinine-glucuronideME11437020.991.01
CallicarpenalME11425340.991.01
beta-sanshoolME11428220.991.01
Bengamide EME11427040.991.01
AzetirelinME11433230.991.01
Arg Phe GluME11428140.991.01
Arg Leu GluME11429100.991.01
Adenine monohydrochloride hemihydrateME11418760.991.01
Acetylsalicylic acidME11422370.991.01
7-Hydroxy-1(3H)-isobenzofuranoneME11425680.991.01
5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diolME11435240.991.01
4-Hydroxy-5-(dihydroxyphenyl)-valeric acid-O-sulphateME11423920.991.01
4-ChlorobenzotrifluorideME11433210.991.01
4,4^-DiapophytoflueneME11424870.991.01
3-TrehalosamineME11427580.991.01
3-KetosphingosineME11426340.991.01
3-DeoxyestradiolME11434820.991.01
3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediolME11432580.991.01
3,8-Dimethoxy-5,7-dihydroxy-3^,4^-methylenedioxyflavoneME11434970.991.01
3,4-Dihydroxymandelic acidME11424390.991.01
(2S,2^S)-PyrosaccharopineME11433530.991.01
2,4,6-TrithiaheptaneME11433640.991.01
1-KestoseME11420590.991.01
1,1-DichloroacetoneME11432120.991.01
1,2-dihydroxyheptadec-16-yn-4-yl acetateME11433880.991.01
(+)-Usnic acidME11422830.981.02
tetradec-5-ynoic acidME11433960.981.02
Terezine BME11435530.981.02
(S)-(-)-Perillyl alcoholME11422980.981.02
Quinolinic AcidME11430990.981.02
Pumiliotoxin 251DME11428810.981.02
PortentolME11424500.981.02
PicrocrocinME11421110.981.02
o-Toluic acidME11420690.981.02
Monobutyl phthalateME11421220.981.02
Lycoposerramine AME11435640.981.02
Leucyl-4-hydroxyprolineME11436630.981.02
KetotifenME11430670.981.02
Isopropyl ferulateME11430330.981.02
Hypochoeroside EME11430010.981.02
Heptaethylene glycolME11433550.981.02
GliovictinME11429890.981.02
Eremopetasitenin B2ME11423720.981.02
ClimbazolME11434510.981.02
Asp Asn HisME11434940.981.02
Asp Arg TyrME11427050.981.02
ArginylasparagineME11433370.981.02
amproliumME11437190.981.02
AltrenogestME11424570.981.02
alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanolME11433170.981.02
AllantoxanamideME11431520.981.02
7-Methoxy-4-methyl-coumarin-8-olME11422800.981.02
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]ME11428320.981.02
3-Phenyl-4-pentenalME11431770.981.02
3,4-Dihydroxybenzeneacetic acidME11421830.981.02
2-PhenylpropionateME11421740.981.02
2-HydroxymethyltetrahydropyranME11420060.981.02
2-hydroxy-3-methylvalerateME11423280.981.02
1-Pentanone, 3-hydroxy-1,5-diphenyl-ME11434010.981.02
1,4,8,11-TetraoxacyclotetradecaneME11423660.981.02
17a-Aza-D-homoandrost-5-en-3beta-olME11428190.981.02
Tris(2-hydroxyethyl) isocyanurateME11424300.951.05
SpiromassaritoneME11435210.951.05
Sec-O-GlucosylhamaudolME11419870.951.05
Sebacoyl-L-carnitineME11432010.951.05
Salicyluric acidME11421770.951.05
RoccaninME11424490.951.05
PrilocaineME11424610.951.05
N-MethylflindersineME11418620.951.05
NeurodazineME11435400.951.05
N-butylbenzenesulphonamideME11424360.951.05
N(6),O(2)-DimethyladenosineME11431070.951.05
N-(2-phenylethyl)-Indomethacin amideME11427170.951.05
Lemnaloside DME11428640.951.05
Kynurenic acidME11431150.951.05
JasmoneME11425660.951.05
ImigliptinME11431760.951.05
Ile Thr IleME11435080.951.05
Halaminol CME11426230.951.05
GuvacineME11430570.951.05
Ethyl (ethylthio)methyl disulfideME11433490.951.05
EllipticineME11436960.951.05
Dioctyl PhthalateME11424370.951.05
Diethylhexyl adipateME11431960.951.05
Cysteinyl-GlutamateME11423890.951.05
CumeneME11427200.951.05
Chloridazon-desphenylME11424750.951.05
CernuineME11427850.951.05
CerevisterolME11419750.951.05
(-)-BlastmycinolactolME11435650.951.05
BavachalconeME11419840.951.05
AnisylacetoneME11421430.951.05
AbacavirME11435770.951.05
9-Hydroxyoctadecanoic acidME11420090.951.05
8Z,11Z,14Z,17Z-eicosatetraenoic acidME11425900.951.05
5-O-MethylvisamminolME11418820.951.05
5-FormylbenzofuranME11434850.951.05
2,6-DithiopurineME11431880.951.05
2-PalmitoylglycerolME11421010.951.05
Ureidopropionic acidME11421990.931.07
TectorigeninME11430780.931.07
ShogaolME11419860.931.07
Pseudolaric Acid CME11418670.931.07
PentadecanolideME11421440.931.07
NeocryptotanshinoneME11422650.931.07
MG(0:0/10:0/0:0)ME11432470.931.07
MF-EA 705alphaME11425510.931.07
LobetyolinME11430450.931.07
Linoleic acid amideME11422260.931.07
Kermadecin HME11426540.931.07
IsocurcumenolME11419820.931.07
Galacturonic acidME11422000.931.07
Ethyl-p-methoxyhydrocinnamateME11420260.931.07
delta-DecalactoneME11421470.931.07
DehydrooreadoneME11425350.931.07
DAH-3-Keto-4-enME11423950.931.07
CytidineME11434300.931.07
CrenulatinME11420080.931.07
CornigeroneME11427570.931.07
CodlemoneME11427860.931.07
cis-10-Heptadecenoic acidME11421640.931.07
Argininosuccinic acidME11421950.931.07
Agecorynin BME11430140.931.07
7-MethylcoumarinME11419670.931.07
6-DimethylaminopurineME11422200.931.07
5-HydroxyindoleacetylglycineME11432870.931.07
5-Acetoxyisogoniothalamin oxideME11427100.931.07
4-Hydroxy-3,5,5-trimethylcyclohex-2-enoneME11427230.931.07
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-oneME11433920.931.07
2-MethyleneglutarateME11427060.931.07
1-MonopalmitinME11427990.931.07
1,3,7-TrimethylisoguanineME11428900.931.07
1-MethoxyphenanthreneME11429020.931.07
Thyrotropin releasing hormoneME11428950.941.06
(+)-TeucriumlactoneME11428920.941.06
Sphingosine 1-phosphate (d16:1-P)ME11431450.941.06
Salicyl alcoholME11423090.941.06
(+)-SabinoneME11431740.941.06
Quercetin 3-O-beta-D-(6^^-p-coumaroyl)glucopyranosyl(1-->2)-alpha-L-rhamnopyranosideME11430310.941.06
Petroselaidic acid(C18-1T)ME11422060.941.06
N-Palmitoyl ArginineME11431670.941.06
MelamineME11424420.941.06
Larreagenin AME11425380.941.06
His Ile AsnME11428710.941.06
Glycinamide, glycyl-L-prolyl-ME11433560.941.06
GenipinME11421250.941.06
EstraneME11427320.941.06
Eleutheroside CME11420280.941.06
DMPOME11427180.941.06
DemethoxyencecalinME11430930.941.06
Dehypoxanthine futalosineME11427020.941.06
DehydrowarfarinME11432290.941.06
CyclomaltodextrinME11435600.941.06
Caryophyllene oxideME11420610.941.06
Butenoyl PAFME11427740.941.06
bis-(acetyl)diaminopentaneME11433850.941.06
beta-fenchocamphoroneME11434890.941.06
Baenzigeroside BME11436020.941.06
ArbutinME11423340.941.06
4-(3-Indolyl)butane-1,2,3-triolME11435460.941.06
3-Sulfinylpyruvic acidME11431700.941.06
3-MethoxyanthranilateME11423360.941.06
3beta-Fluoro-5beta-pregnan-20-oneME11427520.941.06
2E,4Z-OctadienalME11425690.941.06
2,6-DimethylquinolineME11421350.941.06
1-Methyl-4-phenyl-2H-pyridineME11431850.941.06
1,5-anhydroglucitolME11422110.941.06
17beta-Amino-5alpha-androstan-11beta-olME11428590.941.06
(Z)-2-octylpent-2-enedioic acidME11434000.921.08
Topsentisterol B1ME11426030.921.08
Salicylic acidME11434200.921.08
R-Palmitoyl-(2-methyl) EthanolamideME11436590.921.08
Raspberry ketone glucosideME11421020.921.08
RAFFINOSEME11424150.921.08
PteryxinME11418700.921.08
PSEUDO-ANISATINME11433820.921.08
Precocene IIME11435220.921.08
OpuntiolME11428910.921.08
N6-Methyl-lysineME11434350.921.08
LysoPA(i-20:0/0:0)ME11432100.921.08
Lys His GlyME11428110.921.08
Licoisoflavone BME11419930.921.08
Isoamyl laurateME11426440.921.08
IrisoquinME11429930.921.08
Humulene-alphaME11432690.921.08
FumagillolME11418590.921.08
FeruloylputrescineME11422240.921.08
DimethylfraxetinME11418520.921.08
CrocetinME11421240.921.08
AminopentolME11429760.921.08
Adenosine-2^-monophosphateME11420530.921.08
7-OxostigmasterolME11428730.921.08
4-tert-ButylphenolME11435660.921.08
4-DeoxypyridoxineME11425730.921.08
3,6-DihydroxydecanoylcarnitineME11431260.921.08
2-Hydroxycinnamic acidME11421730.921.08
2-CarboxybenzaldehydeME11419680.921.08
2-amino-1,3,4,5-icosanetetrolME11425440.921.08
2,6-dihydroxyanthraquinoneME11434110.921.08
1-Dodecyl-2-pyrrolidinoneME11424350.921.08
1-MonomyristinME11420800.921.08
TripropilamineME11424670.911.09
Ser Phe ArgME11425970.911.09
Ro 20-1724ME11423110.911.09
ProgesteroneME11424770.911.09
Phenazine-1-carboxylic acidME11430540.911.09
PentahydroxyflavanoneME11428880.911.09
PA(i-12:0/i-12:0)ME11431680.911.09
N-(4-Aminobenzoyl)-L-glutamic acidME11431220.911.09
Myxopyronin AME11429780.911.09
Musacin DME11427220.911.09
Maoecrystal IME11436100.911.09
(+)-Isoaminobisabolenol aME11427310.911.09
HaplanthinME11428360.911.09
Glycyl-HistidineME11423550.911.09
globosumone CME11435970.911.09
GitogeninME11420380.911.09
GigantolME11418930.911.09
Ethyl cinnamateME11430460.911.09
DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)ME11431290.911.09
Deca-5,8-dienedioylcarnitineME11431300.911.09
CysteinylglycineME11422040.911.09
CanagliflozinME11436420.911.09
Arg Pro TyrME11436410.911.09
4-Chloro-1,3-dioxolan-2-oneME11432460.911.09
3-hydroxy-3-methylglutarateME11423270.911.09
2-Hexynyl-5^-N-ethylcarboxamidoadenosineME11432850.911.09
3^,5-Dimethoxy-4-hydroxy-4^-(3,3-dimethylallyl) stilbeneME11429420.911.09
XanthopterinME11423990.901.10
Wilforlide AME11420370.901.10
VardenafilME11430630.901.10
TriphenylsilanolME11428980.901.10
ToddalolactoneME11418720.901.10
TilmacoxibME11436080.901.10
(rel)-beta-TocopherolME11430880.901.10
pseudouridineME11431040.901.10
PiceinME11419770.901.10
Pentaethylene glycolME11424270.901.10
PA(8:0/10:0)ME11433580.901.10
Oxypeucedanin hydrateME11419510.901.10
O-[(5Z)-dodecenoyl]carnitineME11436000.901.10
NicotianamineME11424950.901.10
N-CarbamylglutamateME11431080.901.10
LawsoneME11430410.901.10
Isopentenyl pyrophosphateME11436850.901.10
Gly Phe ValME11427980.901.10
FentinME11433690.901.10
(E/Z)-PolydatinME11418540.901.10
(E)-Methyl-4-hydroxycinnamateME11425640.901.10
cis-Hexadec-11-en-7,9-diynoic acidME11425330.901.10
beta-GentiobioseME11419040.901.10
6-FluorotryptophanME11430980.901.10
5-(Heptadec-12-enyl)resorcinolME11426980.901.10
3-[4-(4-Chlorophenyl)cyclohexyl]naphthalene-1,2,4-trioneME11432730.901.10
(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanoneME11431870.901.10
2-Propenyl 3-(2-propenylsulfonyl)-1-propenyl disulfideME11432220.901.10
2-METHOXYRESORCINOLME11434310.901.10
(2,3-diphenylcyclopropyl)methyl phenyl sulfoxideME11428440.901.10
1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexaneME11426150.901.10
2,3-DIMETHYL-1,4-HEXADIENEME11426750.901.10
Trp Gln GlnME11429350.891.11
TrihexanoinME11435960.891.11
SequoyitolME11423210.891.11
SALSOLINEME11427000.891.11
(plusmn)FenfluramineME11427300.891.11
Palmitic amideME11427350.891.11
Justicidin EME11436480.891.11
Homaxisterol B2ME11426410.891.11
EtidocaineME11431620.891.11
D-(-)-Quinic acidME11426780.891.11
DihydralazineME11433260.891.11
DiaziquoneME11432860.891.11
D-CitrullineME11423410.891.11
ConiferinME11419560.891.11
CaudatinME11419380.891.11
ArginylglycineME11433270.891.11
Arg Ile IleME11437110.891.11
AgomelatineME11422920.891.11
4-Hydroxyphenacyl alcoholME11429410.891.11
4,4^-Methylenebis(2,6-di-tert-butylphenol)ME11425160.891.11
3-Hydroxypicolinic acidME11422210.891.11
3-hydroxy-3-(3-hydroxyphenyl)propanoic acidME11423260.891.11
2-Methylcyclopentane-1,3-dioneME11422770.891.11
3-(1-Hydroxymethyl-1-propenyl)pentanedioic acidME11431420.891.11
Tournefolin BME11426770.761.24
(S1)-Methoxy-3-heptanethiolME11432310.761.24
N-Acetyl-L-tyrosineME11422560.761.24
L-Histidine trimethylbetaineME11422130.761.24
KauraneME11425000.761.24
Diacylglycerol(16:1/18:2)ME11429810.761.24
BactobolinME11437090.761.24
Arnicolide DME11422670.761.24
4-Coumaroyl-2-hydroxyputrescineME11433380.761.24
13,14-dihydro Prostaglandin F1alphaME11426940.761.24
2-hydroxyoctanoic acidME11422280.761.24
Trp Thr HisME11428850.751.25
trans-7-Nonadecenoic acidME11421840.751.25
Shogasulfonic acid AME11426010.751.25
PhosphorylcholineME11420870.751.25
PA(12:0/12:0(3-OH))ME11433720.751.25
OsmundalactoneME11435260.751.25
OctahydrocurcuminME11423180.751.25
N-Ethyl-N-MethylcathinoneME11429450.751.25
7-Ethoxy-4-methylcoumarinME11421080.751.25
AdenineME11424790.751.25
NeoanhydropodophyllolME11419030.741.26
MG(i-18:0/0:0/0:0)ME11423840.741.26
LagochilinME11423980.741.26
icosasphinganineME11425470.741.26
gamma-GlutamylcysteinylserineME11423930.741.26
9-Octadecen-1-amineME11423690.741.26
CentaureidinME11428870.741.26
MethoxypolysignineME11436820.771.23
MelperonME11434690.771.23
HexadecanoylpyrrolidineME11427500.771.23
Flavokawain AME11421030.771.23
EsprocarbME11435620.771.23
cis-11-Eicosenoic acidME11421650.771.23
Acacetin 7-glucosideME11433130.771.23
3,4-Methylenedioxymandelic acidME11428090.771.23
13beta,29-Dihydroxymilbemycin A3ME11435590.771.23
2,6,7-Trihydroxy-9-methylxanthen-3-oneME11426620.771.23
Tetracenomycin F2ME11436710.781.22
PindololME11428660.781.22
Phenylalanylglutamic acidME11433070.781.22
PC(20:4(5Z,8Z,11Z,14Z)-OH(16R)/16:0)ME11423450.781.22
Palmitoyl SerinolME11428540.781.22
Palmitelaidic acidME11421630.781.22
LepidimoideME11426330.781.22
His Lys LeuME11426950.781.22
FlabellineME11429550.781.22
ButuronME11434430.781.22
BetulinaldehydeME11420160.781.22
(+/-) AnabasineME11420680.781.22
6-Methoxy-7,8-methylenedioxycoumarinME11427930.781.22
4-methoxy DMTME11429060.781.22
1-Hexadecyl Lysophosphatidic AcidME11428610.781.22
4^-HydroxychalconeME11419460.781.22
SUCCINIC ACIDME11424160.791.21
StearamideME11421400.791.21
SisomicinME11430590.791.21
Pubeside BME11428490.791.21
Pristanic acidME11422900.791.21
PersicogeninME11418870.791.21
N-Methyl-L-phenylalanineME11428760.791.21
NecatorineME11432760.791.21
NardosinoneME11419810.791.21
Huperzine GME11434800.791.21
D-FructoseME11421800.791.21
Aggreceride CME11425450.791.21
5-O-DemethylnobiletinME11421130.791.21
1-HexadecylamineME11429240.791.21
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acidME11433870.791.21
trans-2,4-hexadienalME11435000.801.20
TetrahydroxymethoxychalconeME11430960.801.20
Phenylacetylglycine dimethylamideME11429630.801.20
L-N-(1H-Indol-3-ylacetyl)aspartic acidME11432970.801.20
Linalyl acetateME11423170.801.20
L-(+)-ArabinoseME11421820.801.20
Garcinielliptone FAME11429480.801.20
FraxidinME11419390.801.20
Caulibugulone AME11428500.801.20
Capsi-amideME11427370.801.20
BombykolME11418910.801.20
9,10-DihydroxyanthraceneME11426520.801.20
8-(2-hydroxy-3-methoxy-3-methylbutyl)-7-methoxychromen-2-oneME11423960.801.20
3,4-Dimethoxyphenylacetic acidME11422290.801.20
7-methoxy-4-methylcoumarinME11430130.801.20
Uridine 2^-phosphateME11437320.861.14
Tazarotenic acidME11423130.861.14
(-)-PyridoxatinME11425830.861.14
Pseudodistomin DME11427460.861.14
Piptamine(antibiotic)ME11429290.861.14
Phthalic acidME11421780.861.14
MompainME11428970.861.14
MG(0:0/19:0/0:0)ME11432810.861.14
L-CarnitineME11431160.861.14
HexadecasphinganineME11426250.861.14
DiptocarpidineME11437140.861.14
DiaportinolME11428100.861.14
CynaropicrinME11419020.861.14
Cyclic aptME11431890.861.14
ConiferaldehydeME11424140.861.14
(-)-ClathrotropineME11436530.861.14
C16 SphingosineME11427960.861.14
9-Methoxycanthin-6-oneME11430440.861.14
(+)-7alpha,8alpha-Epoxyblumenol BME11426500.861.14
7-Acetoxy-5,6-dimethoxycoumarinME11427880.861.14
5-O-Caffeoylshikimic acidME11421200.861.14
6beta-Fluoro-5alpha-hydroxypregnane-3,20-dioneME11429040.861.14
(S)-10-HydroxycamptothecinME11422710.881.12
OrmosanineME11434290.881.12
O-Acetyl-L-serineME11424110.881.12
Methyl EugenolME11421420.881.12
Isoeugenol acetateME11421520.881.12
His Val AsnME11428130.881.12
Gliocladic acid_130132ME11424560.881.12
ErgolideME11420200.881.12
Dinocton 6ME11429220.881.12
CarbimazoleME11431210.881.12
Aleuritic acidME11430260.881.12
5alpha-Androstan-2-en-17beta-olME11435840.881.12
3,4-Dihydroxyhydrocinnamic acidME11422400.881.12
2-NaphthalenolME11434410.881.12
1-Hydroxy-2-naphthoateME11423310.881.12
11-deoxy-PGE1ME11429080.881.12
1,2-DichloropropaneME11432480.881.12
VisnaginME11425590.871.13
ThreonylthreonineME11423800.871.13
s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-piperidino-ME11431350.871.13
StachydrineME11430610.871.13
Sanjoinine G2ME11429670.871.13
PicrotoxininME11430250.871.13
p-BenzoquinoneME11435360.871.13
Kinabalurine GME11425780.871.13
JugloneME11424030.871.13
HispolonME11419060.871.13
GlycylglycineME11422310.871.13
ExemestaneME11424720.871.13
EuparinME11424000.871.13
EsculetinME11421040.871.13
ArtemisiteneME11418660.871.13
Antibiotic WS 5995BME11427810.871.13
AKBAME11420810.871.13
Ac-Tyr-OEtME11435250.871.13
8-MethoxykynurenateME11435450.871.13
5-borylporphineME11434920.871.13
2-Amino-4-methoxyphenolME11430320.871.13
2-Methoxycinnamic acidME11421450.871.13
SclareolideME11430790.821.18
RosinME11418770.821.18
PropanoylagmatineME11429210.821.18
Praeruptorin EME11430190.821.18
Octadecanoic acidME11423240.821.18
NortropineME11430280.821.18
NeoisoliquiritinME11418800.821.18
Methyl 5-hydroxy-4-oxopentanoateME11437000.821.18
L-saccharopineME11424800.821.18
LoliolideME11424530.821.18
(-)-HydroxydihydrobovolideME11425100.821.18
HomarineME11424190.821.18
HelicinME11420240.821.18
DehydrodiisoeugenolME11419800.821.18
(6E)-2,6,10-trimethyldodeca-6,11-diene-2,3,10-triolME11433990.821.18
3-Methyl-(triazen-1-yl)imidazole-4-carboxamideME11431970.821.18
12S-HETrEME11425490.821.18
2,4-Diamino-6,7-diisopropylpteridineME11437160.821.18
terreinME11434030.811.19
(R)-SulforaphaneME11419590.811.19
Quisqualic acidME11434240.811.19
PhloretinME11420770.811.19
Methylglutaric acidME11421680.811.19
L-Cysteinesulfinic acidME11423010.811.19
Eicosapentaenoic acid methyl esterME11422850.811.19
Dihydrosinapyl alcoholME11430300.811.19
CytisinME11424130.811.19
BritanninME11419970.811.19
2,4,5-Trimethoxybenzoic acidME11419830.811.19
4-Methylumbelliferyl beta-D-glucuronideME11426110.811.19
Thiodi-glycolic acidME11433600.831.17
Pro Pro ArgME11430070.831.17
Ophiopogonanone AME11430510.831.17
n-PentadecylamineME11425600.831.17
N-MethylcytisineME11419610.831.17
Malabaricone CME11421490.831.17
ISOEUGENITOLME11429620.831.17
IsobooneinME11425650.831.17
GlutathioneME11422360.831.17
FENSPIRIDEME11430040.831.17
DODECA-2(E),4(E)-DIENOIC ACID ISOBUTYLAMIDEME11435810.831.17
DiosmetinME11421280.831.17
DendrobineME11430470.831.17
Cleomiscosin AME11419640.831.17
cis-11,14-Eicosadienoic acidME11421850.831.17
Brefeldin AME11419450.831.17
7-Hydroxy-5,6,8,3^-tetramethoxy-4^,5^-methylenedioxyflavoneME11436780.831.17
4-Hydroxy-6-methyl-2-pyroneME11424380.831.17
1-pentadecanoyl-glycero-3-phosphateME11433700.831.17
(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl esterME11436340.831.17
SulindacME11434660.851.15
N-(2-Hydroxyethyl)nicotinamideME11433460.851.15
MearsineME11428780.851.15
Lauramine oxideME11426240.851.15
GlycylleucineME11423290.851.15
GeranylgeraniolME11419330.851.15
AnthranilME11427190.851.15
1,4-Cyclohexanedicarboxylic acidME11424400.851.15
5-(4-HYDROXYPHENYL)-5-PHENYLHYDANTOINME11436400.851.15
trans-p-Menth-8-en-7-olME11426650.841.16
Starch acetateME11433430.841.16
OxidosenexoneME11426430.841.16
Orcinol glucosideME11422870.841.16
Inosine-5^-carboxylateME11437080.841.16
GymnosperminME11435340.841.16
Ethyl nonanoateME11430690.841.16
ErgothioneineME11422150.841.16
Dodecanoic acidME11421620.841.16
Cyclo-(Leu-Tyr)ME11429200.841.16
ArtemisininME11419990.841.16
4beta-HydroxycholesterolME11435070.841.16
3beta-Hydroxysolanascone beta-sophorosideME11435740.841.16
3-Oxotetradecanoic acidME11423820.841.16
TricinME11418640.681.32
Myristamine OxideME11424230.681.32
MeisoindigoME11419470.681.32
(20S)-ProtopanaxatriolME11419230.681.32
(3R)-3,21-dihydroxyhenicosanoic acidME11429740.681.32
Tuliposide BME11425870.691.31
PsorosperminME11426570.691.31
PC(16:0/18:1(9Z))ME11423430.691.31
(2E)-hexenedioylcarnitineME11428410.691.31
N-FormylcytisineME11419420.691.31
PC(PGF1alpha/14:0)ME11432230.661.34
N-[3-(Dimethylamino)propyl]dodecanamideME11424290.661.34
4-Hydroxy-6-nonadecanoneME11423750.661.34
5-(10-Nonadecenyl)-1,3-benzenediolME11423770.661.34
Sphingosine (d17:1)ME11418920.671.33
Schisandrin CME11422820.671.33
Pimelotide CME11436310.671.33
N-Isobutyl-(2E,4E)-octadecadienamideME11428000.671.33
N-AcetylsphinganineME11432510.671.33
FulvineME11426600.671.33
AmmodendrineME11429870.671.33
Cycloshermilamine DME11425420.671.33
PC(18:1(12Z)-2OH(9,10)/18:3(9Z,12Z,15Z))ME11423530.711.29
O-AcetylsolasodineME11434230.711.29
N(2),N(2),N(4),N(6)-TetramethylmelamineME11432410.711.29
MG(0:0/18:0/0:0)ME11432130.711.29
Gingerenone AME11421160.711.29
DiscadenineME11429070.711.29
D-erythro-Sphingosine C-20ME11428600.711.29
6alpha-Hydroxy-castasteroneME11436930.711.29
AcisogaME11436920.711.29
SufentanilME11434530.701.30
S-Methyl GSHME11429330.701.30
Rhodojaponin IIIME11419580.701.30
Prostaglandin E1ME11420490.701.30
AcacetinME11424640.701.30
Calceolarioside BME11430430.701.30
TMSME11428420.731.27
SpirostanME11435680.731.27
DiethylpropionME11435010.731.27
Choline sulfateME11429910.731.27
3-Fluoro-5-[3-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-5-yl]benzonitrileME11433120.731.27
AplotaxeneME11425580.731.27
ThiamineME11420500.721.28
PhytosphingosineME11420580.721.28
CodonopsinolME11427420.721.28
alpha-L-Rhamnose monohydrateME11422700.721.28
4^-MethoxypuerarinME11418740.721.28
5-HydroxyflunixinME11434760.721.28
(E)-Oct-2-enoic acidME11422960.651.35
N-CyclohexanecarbonyltetradecylamineME11425240.641.36
JaceosidinME11419200.641.36
Hexaethylene glycolME11433100.641.36
Glycidyl stearateME11426680.641.36
GlycyrrhisoflavoneME11419690.641.36
Erucic acidME11422620.621.38
Alanyl-LeucineME11434340.621.38
2-Phenylbutanoic acidME11422940.621.38
6-cis-DocosenamideME11427550.621.38
XylobioseME11421570.631.37
Eriodictyol-7-O-glucosideME11421100.631.37
PaulowninME11418650.631.37
XylotetraoseME11430400.611.39
Sinapinic acid-O-glucuronide isomerME11432930.611.39
Benzo(f)quinolineME11424330.611.39
(5E,8Z)-4,7-dihydroxy-2-methyl-2,3,4,7-tetrahydrooxecin-10-oneME11434050.611.39
1-(3-Chlorophenyl)piperazineME11424440.611.39
2-(alpha-D-Glucosyl)-sn-glycerol 3-phosphateME11428940.611.39
2^-Deoxymugineic acidME11427830.601.40
(2S)-2-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxy-2,3-dihydropyran-6-oneME11433910.601.40
p-CoumaroylputrescineME11428290.591.41
Palmitoyl N-IsopropylamideME11427470.591.41
Benzoyl L-arginine methyl esterME11432800.591.41
IsosakuraninME11421500.591.41
Methyl heptadecanoateME11419720.581.42
TenofovirME11428570.581.42
Yinyanghuo AME11437280.561.44
1,3-DIMETHYLURIC ACIDME11424170.561.44
DG(16:1(9Z)/16:1(9Z)/0:0)ME11433650.561.44
PisumionosideME11434950.571.43
(2E,4E,12Z)-N-(2-methylpropyl)octadeca-2,4,12-trienamideME11424020.571.43
5,10-Methylene-THFME11432300.571.43
Prolyldiketopiperazine BME11429880.551.45
2-(3,4-dimethoxyphenyl)ethanamineME11423370.551.45
MilamelineME11432520.551.45
Ser Tyr ArgME11427760.541.46
ArctinolME11433620.541.46
L-TheanineME11422300.541.46

Factors:

F1Sample source:wheat grains | Cultivar:ZM22
F2Sample source:wheat grains | Cultivar:ZM7698
Data matrix
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