Clustering data with hclust algorithm for (Study ST002017)

(Analysis AN003287)
MetaboliteStructureF1F2
dihydroferulic acidME4660940.431.81
5alpha-androstan-3alpha, 17beta-diol 17-glucosiduronateME4659500.451.78
5alpha-androstan-3alpha,17beta-diol disulfateME4659520.461.77
isoeugenol sulfateME4662280.541.66
N-acetyl-cadaverineME4663120.521.69
thymol sulfateME4665200.581.59
azelate (nonanedioate)ME4660240.561.63
ferulic acid 4-sulfateME4661320.561.62
eugenol sulfateME4661300.331.95
5alpha-androstan-3alpha,17beta-diol monosulfate (2)ME4659540.172.18
caffeic acid sulfateME4660400.232.10
3-methylglutarate/2-methylglutarateME4659171.200.72
acetoacetateME4659811.200.72
4-acetaminophen sulfateME4659281.200.71
12,13-DiHOMEME4657681.210.71
pipecolateME4664151.210.71
5-dodecenoate (12:1n7)ME4659631.240.66
1-palmitoyl-GPI (16:0)ME4658231.220.69
14-HDoHE/17-HDoHEME4657721.230.67
glycerolME4661681.230.68
3-methylurate*ME4659201.260.64
palmitoleate (16:1n7)ME4663811.260.63
myristoleate (14:1n5)ME4662841.280.60
9-hydroxystearateME4659791.280.61
cholateME4660581.270.61
cinnamoylglycineME4660611.270.61
glycerophosphoglycerolME4661711.330.53
3-hydroxybutyrate (BHBA)ME4658931.310.56
methyl-4-hydroxybenzoate sulfateME4662781.310.57
5alpha-pregnan-3(alpha or beta),20beta-diol disulfateME4659581.460.35
5alpha-pregnan-3beta,20alpha-diol monosulfate (2)ME4659601.460.34
pregnanolone/allopregnanolone sulfateME4664191.460.34
betonicineME4660341.510.28
DSGEGDFXAEGGGVR*ME4661121.500.29
5alpha-pregnan-3beta,20alpha-diol disulfateME4659591.410.41
5alpha-pregnan-3beta,20beta-diol monosulfate (1)ME4659611.420.41
estrone 3-sulfateME4661261.350.50
methyl glucopyranoside (alpha + beta)ME4662761.360.49
pregnanediol-3-glucuronideME4664181.390.45
propyl 4-hydroxybenzoate sulfateME4664281.370.47
1-methylxanthineME4657980.781.31
androstenediol (3beta,17beta) monosulfate (1)ME4660090.781.32
mannitol/sorbitolME4662680.781.32
1,7-dimethylurateME4657630.761.33
5alpha-androstan-3beta,17alpha-diol disulfateME4659550.761.33
isovalerylcarnitine (C5)ME4662320.761.34
alliinME4659940.761.34
21-hydroxypregnenolone monosulfate (1)ME4658410.761.34
2-oxoarginine*ME4658720.761.34
tiglylcarnitine (C5:1-DC)ME4665230.771.33
suberate (octanedioate)ME4664960.771.33
N-delta-acetylornithineME4663390.771.33
hydroxycotinineME4662090.771.33
gamma-glutamylvalineME4661560.771.33
5alpha-androstan-3alpha,17beta-diol monosulfate (1)ME4659530.771.33
2-methylcitrate/homocitrateME4658670.771.33
4-guanidinobutanoateME4659330.771.33
O-methylcatechol sulfateME4663730.771.32
N-acetylcitrullineME4663140.771.32
o-cresol sulfateME4663580.771.32
androstenediol (3alpha, 17alpha) monsulfate (2)ME4660050.741.38
hydroquinone sulfateME4662080.741.37
quinateME4664360.741.37
5alpha-androstan-3beta,17beta-diol monosulfate (2)ME4659570.761.35
gamma-glutamylglutamateME4661450.761.35
adrenoylcarnitine (C22:4)*ME4659910.751.36
2-methylbutyrylcarnitine (C5)ME4658650.751.36
3-(3-hydroxyphenyl)propionateME4658770.751.36
saccharinME4664450.751.35
N-methylpipecolateME4663450.751.35
arachidonoylcarnitine (C20:4)ME4660170.751.35
3-(3-hydroxyphenyl)propionate sulfateME4658780.751.35
5alpha-androstan-3beta,17beta-diol disulfateME4659560.751.35
xanthurenateME4665480.801.28
prolylglycineME4664240.801.28
gamma-glutamylleucineME4661500.801.28
13-HODE + 9-HODEME4657700.801.28
gamma-glutamylisoleucine*ME4661490.801.28
ursodeoxycholateME4665370.801.29
2-hydroxyhippurate (salicylurate)ME4658540.801.29
dihomo-linolenoylcarnitine (20:3n3 or 6)*ME4660910.801.29
hydantoin-5-propionic acidME4662070.791.30
dihydroorotateME4660950.791.30
caffeineME4660410.791.30
3,7-dimethylurateME4658840.791.30
17alpha-hydroxypregnenolone 3-sulfateME4657760.791.30
2-piperidinoneME4658750.791.30
gamma-glutamyltyrosineME4661550.791.29
propionylcarnitine (C3)ME4664260.791.29
valylleucineME4665430.811.27
stearoyl-linoleoyl-glycerol (18:0/18:2) [2]*ME4664950.811.27
paraxanthineME4663960.811.27
glycochenodeoxycholate glucuronide (1)ME4661760.811.27
cysteinylglycineME4660770.811.27
2-hydroxyphenylacetateME4658590.811.27
4-hydroxyglutamateME4659370.811.27
N-acetyltyrosineME4663330.821.26
argininate*ME4660200.821.26
gamma-glutamyl-2-aminobutyrateME4661410.821.26
pregn steroid monosulfate*ME4664170.811.26
behenoylcarnitine (C22)*ME4660270.811.26
pimeloylcarnitine/3-methyladipoylcarnitine (C7-DC)ME4664140.811.26
androstenediol (3beta,17beta) disulfate (1)ME4660070.821.25
glutamateME4661620.821.25
N-acetyltryptophanME4663320.831.25
homostachydrine*ME4662060.831.25
methylmalonate (MMA)ME4662790.831.25
N-acetyl-3-methylhistidine*ME4663050.831.23
valylglycineME4665420.831.24
erucoylcarnitine (C22:1)*ME4661220.831.24
N1-Methyl-4-pyridone-3-carboxamideME4662920.831.24
pyroglutamine*ME4664320.721.40
androstenediol (3alpha, 17alpha) monsulfate (3)ME4660060.721.40
N-acetylkynurenine (2)ME4663220.721.40
testosterone sulfateME4665120.721.39
2-hydroxydecanoateME4658520.731.39
ectoineME4661130.731.39
3-methyl catechol sulfate (1)ME4659120.691.44
7-methylurateME4659760.691.44
4-vinylphenol sulfateME4659450.681.45
N-acetylcarnosineME4663130.691.45
N-acetylalliinME4663070.711.42
1-methylurateME4657970.711.41
5alpha-androstan-3alpha,17alpha-diol monosulfateME4659510.711.41
3-hydroxyhippurateME4658990.701.42
3-methylxanthineME4659210.701.42
acesulfameME4659800.701.43
cystathionineME4660730.701.43
9,10-DiHOMEME4659780.621.55
N-(2-furoyl)glycineME4662880.621.54
2-aminoheptanoateME4658440.621.54
3-hydroxypyridine sulfateME4659040.621.54
4-ethylphenylsulfateME4659320.601.56
indoleacetylglutamineME4662200.611.56
N-acetyl-S-allyl-L-cysteineME4663280.641.51
cytosineME4660800.651.50
1,3,7-trimethylurateME4657600.651.50
4-acetylphenol sulfateME4659290.651.50
docosapentaenoylcarnitine (C22:5n3)*ME4661060.671.47
3-acetylphenol sulfateME4658850.661.49
7-methylxanthineME4659770.661.49
S-allylcysteineME4664490.661.48
tyramine O-sulfateME4665300.661.48
5-hydroxylysineME4659660.951.06
dimethylarginine (SDMA + ADMA)ME4660970.951.06
uridineME4665360.961.05
pyrralineME4664330.961.05
pristanateME4664220.961.05
octadecanedioateME4663590.961.05
glycerophosphoethanolamineME4661700.961.05
beta-alanineME4660290.961.05
arginineME4660210.961.05
arachidate (20:0)ME4660140.961.05
1-(1-enyl-stearoyl)-2-arachidonoyl-GPE (P-18:0/20:4)*ME4657500.961.05
4-cholesten-3-oneME4659310.961.05
xanthineME4665460.961.06
pyruvateME4664340.961.06
pseudouridineME4664290.961.06
phenylacetylglutamineME4664050.961.06
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [2]*ME4663890.961.06
N-acetylvalineME4663340.961.06
N2,N2-dimethylguanosineME4662940.961.06
indolin-2-oneME4662230.961.06
indole-3-carboxylic acidME4662180.961.06
erucate (22:1n9)ME4661210.961.06
citrullineME4660640.961.06
cholineME4660600.961.06
adipoylcarnitine (C6-DC)ME4659890.961.06
adenineME4659850.961.06
5-acetylamino-6-formylamino-3-methyluracilME4659490.961.06
5,6-dihydrothymineME4659470.961.06
2-stearoyl-GPE (18:0)*ME4658760.961.06
2-palmitoleoyl-GPC (16:1)*ME4658730.961.06
1-oleoylglycerol (18:1)ME4658000.961.06
2-hydroxyoctanoateME4658570.961.06
trans-4-hydroxyprolineME4662100.981.04
pantothenateME4663950.971.04
myristoleoylcarnitine (C14:1)*ME4662850.971.04
methionine sulfoxideME4662750.971.04
mannoseME4662690.971.04
hypoxanthineME4662130.971.04
guanidinoacetateME4661940.971.04
glycodeoxycholateME4661800.971.04
glucoseME4661600.971.04
gamma-CEHC glucuronide*ME4661400.971.04
behenoyl sphingomyelin (d18:1/22:0)*ME4660260.971.04
alanineME4659920.971.04
3-aminoisobutyrateME4658860.971.04
2-hydroxybutyrate/2-hydroxyisobutyrateME4658510.971.04
1-stearoyl-2-oleoyl-GPC (18:0/18:1)ME4658310.971.04
1-palmitoyl-2-stearoyl-GPC (16:0/18:0)ME4658180.971.04
1-oleoyl-2-linoleoyl-GPC (18:1/18:2)*ME4657990.971.04
1,2-dilinoleoyl-GPC (18:2/18:2)ME4657560.971.04
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPC (P-16:0/20:4)*ME4657400.971.04
1-(1-enyl-stearoyl)-2-oleoyl-GPE (P-18:0/18:1)ME4657520.971.04
spermidineME4664570.971.05
S-adenosylhomocysteine (SAH)ME4664460.971.05
N-formylphenylalanineME4663420.971.05
N-acetyltaurineME4663300.971.05
methylsuccinateME4662810.971.05
maleateME4662630.971.05
glycoursodeoxycholateME4661930.971.05
glutamineME4661640.971.05
ceramide (d18:1/17:0, d17:1/18:0)*ME4660520.971.05
1-(1-enyl-palmitoyl)-2-oleoyl-GPE (P-16:0/18:1)*ME4657450.971.05
1-linoleoyl-2-arachidonoyl-GPC (18:2/20:4n6)*ME4657850.971.05
succinimideME4664990.931.10
salicyluric glucuronide*ME4664480.931.10
phenylacetylcarnitineME4664030.931.10
oleoyl-arachidonoyl-glycerol (18:1/20:4) [1]*ME4663640.931.10
N6-carbamoylthreonyladenosineME4663000.931.10
N6-acetyllysineME4662990.931.10
myristoylcarnitine (C14)ME4662870.931.10
methionineME4662730.931.10
laurylcarnitine (C12)ME4662410.931.10
lanthionineME4662390.931.10
isovalerateME4662310.931.10
isoleucineME4662290.931.10
hyocholateME4662110.931.10
glycocholateME4661780.931.10
dimethyl sulfoneME4660960.931.10
aspartateME4660230.931.10
5-bromotryptophanME4659620.931.10
3-hydroxy-2-ethylpropionateME4658910.931.10
1-(1-enyl-palmitoyl)-GPC (P-16:0)*ME4657480.931.10
2-oleoylglycerol (18:1)ME4658690.931.10
palmitoleoyl-arachidonoyl-glycerol (16:1/20:4) [2]*ME4663820.931.11
1-stearoyl-GPC (18:0)ME4658350.931.11
palmitic amideME4663800.931.11
uracilME4665330.921.11
tryptophanME4665280.921.11
thioprolineME4665170.921.11
sphingomyelin (d18:1/25:0, d19:0/24:1, d20:1/23:0, d19:1/24:0)*ME4664760.921.11
palmitoyl-linoleoyl-glycerol (16:0/18:2) [2]*ME4663930.921.11
oleoylcarnitine (C18:1)ME4663660.921.11
oleamideME4663610.921.11
N-acetylisoleucineME4663210.921.11
malonylcarnitineME4662640.921.11
L-urobilinME4662600.921.11
indoleacetateME4662190.921.11
betaineME4660320.921.11
5-hydroxyindoleacetateME4659650.921.11
2^-deoxyuridineME4658480.921.11
1-palmitoleoyl-GPC (16:1)*ME4658060.921.11
1-linoleoyl-GPE (18:2)*ME4657900.921.11
1-linolenoyl-GPE (18:3)*ME4657840.921.11
11-ketoetiocholanolone glucuronideME4657670.921.11
1,3-dimethylurateME4657610.921.11
umbelliferone sulfateME4665320.921.12
perfluorooctanesulfonic acid (PFOS)ME4664000.921.12
oleoyl-arachidonoyl-glycerol (18:1/20:4) [2]*ME4663650.921.12
N1-methylinosineME4662930.921.12
linoleoyl-linoleoyl-glycerol (18:2/18:2) [1]*ME4662590.921.12
leucineME4662420.921.12
alpha-hydroxyisovalerateME4659990.921.12
3-methylcytidineME4659150.921.12
1-palmitoyl-2-gamma-linolenoyl-GPC (16:0/18:3n6)*ME4658100.921.12
2-palmitoyl-GPC (16:0)*ME4658740.921.12
valylglutamineME4665410.951.07
sphingomyelin (d18:0/20:0, d16:0/22:0)*ME4664630.951.07
quinineME4664370.951.07
palmitoyl ethanolamideME4663860.951.07
N-monomethylarginineME4663480.951.07
N-acetylglutamineME4663180.951.07
linoleoyl-linolenoyl-glycerol (18:2/18:3) [1]*ME4662570.951.07
lactateME4662360.951.07
hypotaurineME4662120.951.07
hippurateME4662020.951.07
hexanoylcarnitine (C6)ME4661990.951.07
gulonate*ME4661960.951.07
gamma-CEHCME4661390.951.07
erythronate*ME4661240.951.07
cysteine s-sulfateME4660750.951.07
cysteineME4660740.951.07
chenodeoxycholateME4660560.951.07
C-glycosyltryptophanME4660550.951.07
carboxyethyl-GABAME4660460.951.07
alpha-ketobutyrateME4660000.951.07
2-methylbutyrylglycineME4658660.951.07
1-palmitoyl-GPC (16:0)ME4658200.951.07
1-(1-enyl-palmitoyl)-2-arachidonoyl-GPE (P-16:0/20:4)*ME4657410.951.07
1,5-anhydroglucitol (1,5-AG)ME4657620.951.07
xanthosineME4665470.951.08
pregnenolone sulfateME4664210.951.08
p-cresol sulfateME4663970.951.08
N-acetylthreonineME4663310.951.08
N6-methyladenosineME4663020.951.08
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [1]*ME4662510.951.08
1-arachidonoyl-GPE (20:4n6)*ME4657790.951.08
5-methyluridine (ribothymidine)ME4659680.951.08
sarcosineME4664500.941.08
retinol (Vitamin A)ME4664400.941.08
quinolinateME4664380.941.08
pyridoxalME4664300.941.08
phenylalanineME4664060.941.08
N-behenoyl-sphingadienine (d18:2/22:0)*ME4663380.941.08
N6-carboxymethyllysineME4663010.941.08
linoleamide (18:2n6)ME4662460.941.08
glycerol 3-phosphateME4661690.941.08
gamma-glutamylalanineME4661420.941.08
EDTAME4661140.941.08
dimethylglycineME4660980.941.08
cis-4-decenoylcarnitine (C10:1)ME4660620.941.08
ceramide (d16:1/24:1, d18:1/22:1)*ME4660500.941.08
carnitineME4660480.941.08
arabitol/xylitolME4660120.941.08
5-(galactosylhydroxy)-L-lysineME4659460.941.08
2-aminophenol sulfateME4658460.941.08
2-acetamidophenol sulfateME4658420.941.08
1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)*ME4657430.941.08
1-palmitoyl-GPG (16:0)*ME4658220.941.08
vanillylmandelate (VMA)ME4665450.941.09
salicylateME4664470.941.09
N-behenoyl-hexadecanoylsphingosine (d16:1/22:0)*ME4663370.941.09
N(4)-acetylspermidineME4662890.941.09
N2,N5-diacetylornithineME4662950.941.09
N1-methyladenosineME4657930.941.09
lysineME4662610.941.09
gamma-tocopherol/beta-tocopherolME4661570.941.09
gamma-glutamylglutamineME4661460.941.09
4-methylcatechol sulfateME4659430.941.09
3-ureidopropionateME4659240.941.09
1-oleoyl-GPC (18:1)ME4658010.941.09
1-arachidonoyl-GPC (20:4n6)*ME4657780.941.09
1-linoleoyl-GPC (18:2)ME4657890.941.09
palmitoyl-linoleoyl-glycerol (16:0/18:2) [1]*ME4663920.931.09
N-linoleoylglycineME4663440.931.09
N-acetylglucosaminylasparagineME4663160.931.09
N-acetyl-beta-alanineME4663110.931.09
gamma-glutamylthreonineME4661530.931.09
erythritolME4661230.931.09
creatinineME4660710.931.09
1-methylimidazoleacetateME4657950.931.09
5-oxoprolineME4659690.931.09
stearoylcarnitine (C18)ME4664930.871.19
phenol sulfateME4664010.871.19
N-acetyl-1-methylhistidine*ME4663040.871.19
margaroylcarnitine*ME4662710.871.19
gentisateME4661580.871.19
bilirubin (E,Z or Z,E)*ME4660370.871.19
4-methyl-2-oxopentanoateME4659420.871.19
2-hydroxyacetaminophen sulfate*ME4658500.871.19
3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)ME4658900.871.19
oleoyl-linolenoyl-glycerol (18:1/18:3) [2]*ME4663680.871.18
linoleoylcarnitine (C18:2)*ME4662530.871.18
lignoceroylcarnitine (C24)*ME4662450.871.18
glycolithocholateME4661830.871.18
gamma-glutamylmethionineME4661510.871.18
etiocholanolone glucuronideME4661290.871.18
3-methyl-2-oxovalerateME4659140.871.18
epiandrosterone sulfateME4661190.871.18
ursodeoxycholate sulfate (1)ME4665380.861.20
sucraloseME4665010.861.20
pyridoxateME4664310.861.20
phenyllactate (PLA)ME4664070.861.20
N1-Methyl-2-pyridone-5-carboxamideME4662910.861.20
linolenoylcarnitine (C18:3)*ME4662490.861.20
isobutyrylglycineME4662270.861.20
glucuronateME4661610.861.20
biliverdinME4660380.861.20
bilirubin (E,E)*ME4660360.861.20
androstenediol (3beta,17beta) disulfate (2)ME4660080.861.20
2-methylmalonylcarnitine (C4-DC)ME4658680.861.20
3,4-methyleneheptanoylcarnitineME4658830.861.20
picolinateME4664130.861.19
oleoyl-oleoyl-glycerol (18:1/18:1) [2]*ME4663720.861.19
cytidineME4660790.861.19
oleoyl-oleoyl-glycerol (18:1/18:1) [1]*ME4663710.861.19
N-acetylphenylalanineME4663260.841.23
cerotoylcarnitine (C26)*ME4660530.841.23
butyrylcarnitine (C4)ME4660390.841.23
3-methylhistidineME4659190.841.23
3-hydroxyisobutyrateME4659000.841.23
17alpha-hydroxypregnanolone glucuronideME4657750.841.23
2-aminooctanoateME4658450.841.23
ureaME4665350.841.22
methyl indole-3-acetateME4662770.841.22
isobutyrylcarnitine (C4)ME4662260.841.22
2-hydroxy-3-methylvalerateME4658490.841.22
docosadioateME4661000.841.22
ximenoylcarnitine (C26:1)*ME4665490.851.21
N-methyltaurineME4663470.851.21
gamma-glutamyl-alpha-lysineME4661430.851.21
daidzein sulfate (2)ME4660820.851.21
7-hydroxyindole sulfateME4659730.851.21
5-acetylamino-6-amino-3-methyluracilME4659480.851.21
4-hydroxyphenylacetylglutamineME4659390.851.21
3-(4-hydroxyphenyl)lactateME4658790.851.21
4-hydroxyhippurateME4659380.851.21
catechol sulfateME4660490.851.22
gamma-glutamylphenylalanineME4661520.851.22
urateME4665340.891.16
trigonelline (N^-methylnicotinate)ME4665260.891.16
palmitoyl-oleoyl-glycerol (16:0/18:1) [2]*ME4663940.891.16
orotidineME4663760.891.16
kynurenateME4662340.891.16
isovalerylglycineME4662330.891.16
gamma-glutamyltryptophanME4661540.891.16
gamma-glutamyl-epsilon-lysineME4661440.891.16
eicosenoylcarnitine (C20:1)*ME4661180.891.16
deoxycarnitineME4660860.891.16
eicosanodioateME4661150.891.16
propionylglycineME4664270.891.15
phenylpyruvateME4664080.891.15
linoleoyl-linolenoyl-glycerol (18:2/18:3) [2]*ME4662580.891.15
nervonoylcarnitine (C24:1)*ME4663400.891.15
bilirubin (Z,Z)ME4660350.881.18
S-1-pyrroline-5-carboxylateME4664440.881.18
trimethylamine N-oxideME4665270.881.17
pro-hydroxy-proME4664250.881.17
galactitol (dulcitol)ME4661360.881.17
dihomo-linoleoylcarnitine (C20:2)*ME4660930.881.17
dehydroisoandrosterone sulfate (DHEA-S)ME4660840.881.17
arachidoylcarnitine (C20)*ME4660190.881.17
androsterone sulfateME4660110.881.17
alpha-hydroxyisocaproateME4659980.881.17
7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)ME4659720.881.17
1,2,3-benzenetriol sulfate (2)ME4657550.881.17
21-hydroxypregnenolone disulfateME4658400.881.17
2-hydroxylaurateME4658560.881.16
N6,N6,N6-trimethyllysineME4662980.881.16
tyrosineME4665310.911.13
succinylcarnitine (C4-DC)ME4665000.911.13
N-stearoyltaurineME4663560.911.13
N-acetylarginineME4663080.911.13
linoleoyl-arachidonoyl-glycerol (18:2/20:4) [2]*ME4662520.911.13
isoleucylglycineME4662300.911.13
homoarginineME4662040.911.13
glycocholenate sulfate*ME4661790.911.13
glycerophosphorylcholine (GPC)ME4661730.911.13
ethylmalonateME4661280.911.13
cys-gly, oxidizedME4660720.911.13
6-hydroxyindole sulfateME4659700.911.13
5-methylthioadenosine (MTA)ME4659670.911.13
4-hydroxyphenylpyruvateME4659400.911.13
3beta-hydroxy-5-cholestenoateME4658880.911.13
1-methylhistidineME4657940.911.13
1-oleoyl-GPE (18:1)ME4658020.911.13
O-sulfo-L-tyrosineME4663770.911.12
N-alpha-acetylornithineME4663350.911.12
3-methyl-2-oxobutyrateME4659130.911.12
glutarylcarnitine (C5-DC)ME4661660.911.12
pregnen-diol disulfate*ME4664200.901.14
palmitoylcarnitine (C16)ME4663900.901.14
ornithineME4663740.901.14
oleoyl-linoleoyl-glycerol (18:1/18:2) [2]ME4663700.901.14
oleoyl-linoleoyl-glycerol (18:1/18:2) [1]ME4663690.901.14
kynurenineME4662350.901.14
indolelactateME4662210.901.14
glutarate (pentanedioate)ME4661650.901.14
deoxycholateME4660870.901.14
behenoyl dihydrosphingomyelin (d18:0/22:0)*ME4660250.901.14
3-methoxycatechol sulfate (2)ME4659090.901.14
1-linolenoyl-GPC (18:3)*ME4657830.901.14
3-indoxyl sulfateME4659070.901.14
valineME4665400.901.15
tigloylglycineME4665220.901.15
theobromineME4665150.901.15
prolineME4664230.901.15
N-acetylleucineME4663230.901.15
gamma-glutamylhistidineME4661480.901.15
1-linoleoylglycerol (18:2)ME4657870.901.15
beta-hydroxyisovalerateME4660310.901.15
vanillactateME4665440.991.01
trans-urocanateME4665240.991.01
sphingosine 1-phosphateME4664860.991.01
sphingomyelin (d18:1/20:0, d16:1/22:0)*ME4664690.991.01
sphingomyelin (d18:1/15:0, d16:1/17:0)*ME4664650.991.01
sphingomyelin (d18:1/14:0, d16:1/16:0)*ME4664640.991.01
ribitolME4664410.991.01
oleoyl ethanolamideME4663630.991.01
N-stearoyl-sphingosine (d18:1/18:0)*ME4663550.991.01
N-palmitoyl-sphinganine (d18:0/16:0)ME4663530.991.01
histidineME4662030.991.01
glycolithocholate sulfate*ME4661840.991.01
choline phosphateME4664100.991.01
4-imidazoleacetateME4659410.991.01
2^-O-methylcytidineME4658700.991.01
1-(1-enyl-palmitoyl)-GPE (P-16:0)*ME4657490.991.01
1-(1-enyl-stearoyl)-GPE (P-18:0)*ME4657530.991.01
stearoyl-arachidonoyl-glycerol (18:0/20:4) [2]*ME4664920.991.02
sphingomyelin (d18:0/18:0, d19:0/17:0)*ME4664620.991.02
N-acetylserineME4663290.991.02
lignoceroyl sphingomyelin (d18:1/24:0)ME4662440.991.02
fumarateME4661340.991.02
diacylglycerol (16:1/18:2 [2], 16:0/18:3 [1])*ME4660880.991.02
daidzein sulfate (1)ME4660810.991.02
cystineME4660780.991.02
benzoateME4660280.991.02
arabonate/xylonateME4660130.991.02
alpha-tocopherolME4660020.991.02
adenosine 3^,5^-cyclic monophosphate (cAMP)ME4659870.991.02
7-methylguanineME4659750.991.02
2-hydroxystearateME4658600.991.02
1-stearoyl-2-linoleoyl-GPC (18:0/18:2)*ME4658280.991.02
1-(1-enyl-stearoyl)-2-linoleoyl-GPE (P-18:0/18:2)*ME4657510.991.02
1-stearoyl-2-arachidonoyl-GPI (18:0/20:4)ME4658260.991.02
theophyllineME4665160.981.03
N-formylmethionineME4663410.981.03
N6-succinyladenosineME4663030.981.03
N4-acetylcytidineME4662970.981.03
linoleoyl ethanolamideME4662500.981.03
imidazole propionateME4662160.981.03
glycochenodeoxycholate sulfateME4661770.981.03
glutamate, gamma-methyl esterME4661630.981.03
gamma-carboxyglutamateME4661380.981.03
docosahexaenoylcarnitine (C22:6)*ME4661020.981.03
arachidonoyl ethanolamideME4660160.981.03
allantoinME4659930.981.03
3-methoxycatechol sulfate (1)ME4659080.981.03
2-aminobutyrateME4658430.981.03
1-stearoyl-GPE (18:0)ME4658360.981.03
1-linoleoyl-GPG (18:2)*ME4657910.981.03
1-stearoyl-2-arachidonoyl-GPC (18:0/20:4)ME4658240.981.03
orotateME4663750.981.02
N-nervonoyl-sphingadiene (d18:2/24:1)*ME4663490.981.02
N-acetylalanineME4663060.981.02
gamma-glutamylglycineME4661470.981.02
methionine sulfoneME4662740.981.02
sulfate*ME4665021.010.99
stearoyl-arachidonoyl-glycerol (18:0/20:4) [1]*ME4664911.010.99
octanoylcarnitine (C8)ME4663601.010.99
N-acetylglycineME4663191.010.99
N-acetylglucosamine/N-acetylgalactosamineME4663151.010.99
myo-inositolME4662821.010.99
gluconateME4661591.010.99
flavin adenine dinucleotide (FAD)ME4661311.010.99
dodecanedioateME4661091.010.99
cortisoneME4660671.010.99
beta-citrylglutamateME4660301.010.99
alpha-CEHCME4659951.010.99
acisogaME4659831.010.99
2-methoxyacetaminophen sulfate*ME4658641.010.99
1-palmitoyl-2-arachidonoyl-GPI (16:0/20:4)*ME4658091.010.99
1-palmitoyl-2-arachidonoyl-GPC (16:0/20:4n6)ME4658071.010.99
1-(1-enyl-oleoyl)-2-linoleoyl-GPE (P-18:1/18:2)*ME4657381.010.99
1-palmitoleoylglycerol (16:1)*ME4658051.010.99
tricosanoyl sphingomyelin (d18:1/23:0)*ME4665251.010.98
sphingomyelin (d18:1/22:1, d18:2/22:0, d16:1/24:1)*ME4664731.010.98
riboseME4664431.010.98
hexanoylglycineME4662011.010.98
glycosyl-N-nervonoyl-sphingosine (d18:1/24:1)*ME4661901.010.98
asparagineME4660221.010.98
andro steroid monosulfate (1)*ME4660041.010.98
2-hydroxypalmitateME4658581.010.98
2,3-dihydroxyisovalerateME4658391.010.98
1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)ME4658111.010.98
1-palmitoyl-GPE (16:0)ME4658211.010.98
phenylacetateME4664021.000.99
alpha-ketoglutarateME4660011.000.99
imidazole lactateME4662151.000.99
threonineME4665191.001.00
succinateME4664981.001.00
sphingomyelin (d18:1/21:0, d17:1/22:0, d16:1/23:0)*ME4664721.001.00
ribonateME4664421.001.00
retinalME4664391.001.00
quetiapineME4664351.001.00
piperineME4664161.001.00
phytanateME4664121.001.00
palmitoleoyl-linoleoyl-glycerol (16:1/18:2) [1]*ME4663841.001.00
N-palmitoyl-sphingosine (d18:1/16:0)ME4663541.001.00
nonadecanoate (19:0)ME4663511.001.00
naproxenME4663361.001.00
iminodiacetate (IDA)ME4662171.001.00
ibuprofenME4662141.001.00
glycochenodeoxycholateME4661751.001.00
gabapentinME4661351.001.00
escitalopramME4661251.001.00
cotinine N-oxideME4660691.001.00
cholesterolME4660591.001.00
CetirizineME4660541.001.00
carboxyibuprofenME4660471.001.00
acetylcarnitine (C2)ME4659821.001.00
3-(N-acetyl-L-cystein-S-yl) acetaminophenME4658811.001.00
3-hydroxystearateME4659061.001.00
3-hydroxycotinine glucuronideME4658961.001.00
3-(cystein-S-yl)acetaminophen*ME4658801.001.00
2-hydroxyibuprofenME4658551.001.00
1-stearoyl-2-oleoyl-GPE (18:0/18:1)ME4658321.001.00
1-stearoyl-2-arachidonoyl-GPS (18:0/20:4)ME4658271.001.00
1-oleoyl-GPG (18:1)*ME4658031.001.00
10-undecenoate (11:1n1)ME4657661.001.00
1-arachidonylglycerol (20:4)ME4657811.001.00
theanineME4665141.001.01
palmitoleoylcarnitine (C16:1)*ME4663831.001.01
ceramide (d18:1/14:0, d16:1/16:0)*ME4660511.001.01
4-hydroxycoumarinME4659361.001.01
6-oxopiperidine-2-carboxylateME4659711.001.01
taurodeoxycholateME4665101.030.96
stearoyl ethanolamideME4664901.030.96
stearoylcholine*ME4664941.030.96
stearate (18:0)ME4664881.030.96
sphingomyelin (d18:2/18:1)*ME4664791.030.96
sphingomyelin (d18:2/16:0, d18:1/16:1)*ME4664781.030.96
sphingomyelin (d18:1/17:0, d17:1/18:0, d19:1/16:0)ME4664661.030.96
sphinganine-1-phosphateME4664591.030.96
serineME4664521.030.96
sebacate (decanedioate)ME4664511.030.96
phosphoethanolamineME4664111.030.96
N-oleoyltaurineME4663501.030.96
N-acetylhistidineME4663201.030.96
myristoyl dihydrosphingomyelin (d18:0/14:0)*ME4662861.030.96
glycosyl-N-palmitoyl-sphingosine (d18:1/16:0)ME4661911.030.96
glycosyl-N-behenoyl-sphingadienine (d18:2/22:0)*ME4661891.030.96
glycosyl ceramide (d16:1/24:1, d18:1/22:1)*ME4661851.030.96
fructoseME4661331.030.96
docosatrienoate (22:3n3)ME4661071.030.96
cysteine-glutathione disulfideME4660761.030.96
alpha-CEHC sulfateME4659971.030.96
aconitate [cis or trans]ME4659841.030.96
3-hydroxyprolineME4659031.030.96
2-methoxyacetaminophen glucuronide*ME4658631.030.96
1,2-dilinoleoyl-GPE (18:2/18:2)*ME4657571.030.96
1,2-dipalmitoyl-GPC (16:0/16:0)ME4657581.030.96
3-methoxytyramine sulfateME4659101.030.95
3-methylglutaconateME4659161.030.95
N-palmitoylglycineME4663521.020.98
glycosyl ceramide (d18:1/20:0, d16:1/22:0)*ME4661861.020.98
3b-hydroxy-5-cholenoic acidME4658891.020.98
glycodeoxycholate sulfateME4661811.020.98
taurocholateME4665081.020.97
taurineME4665051.020.97
suberoylcarnitine (C8-DC)ME4664971.020.97
stearoyl sphingomyelin (d18:1/18:0)ME4664601.020.97
sphingomyelin (d18:1/24:1, d18:2/24:0)*ME4664751.020.97
phosphateME4664091.020.97
palmitoyl sphingomyelin (d18:1/16:0)ME4663871.020.97
N-acetylmethionineME4663241.020.97
malateME4662621.020.97
glycosyl ceramide (d18:1/23:1, d17:1/24:1)*ME4661871.020.97
decanoylcarnitine (C10)ME4660831.020.97
3beta,7alpha-dihydroxy-5-cholestenoateME4658871.020.97
2-arachidonoylglycerol (20:4)ME4658471.020.97
1-(1-enyl-oleoyl)-GPE (P-18:1)*ME4657391.020.97
1-palmitoyl-2-oleoyl-GPC (16:0/18:1)ME4658141.020.97
citrateME4660631.020.96
1-arachidonoyl-GPI (20:4)*ME4657801.020.96
adipateME4659881.020.96
tartarateME4665031.040.94
sphingomyelin (d17:2/16:0, d18:2/15:0)*ME4664611.040.94
phenylacetylglutamateME4664041.040.94
N-acetylputrescineME4663271.040.94
N-acetyl-aspartyl-glutamate (NAAG)ME4663101.040.94
N-acetylaspartate (NAA)ME4663091.040.94
glycerateME4661671.040.94
docosapentaenoate (n3 DPA; 22:5n3)ME4661041.040.94
dihomo-linolenoyl-cholineME4660921.040.94
campesterolME4660421.040.94
adenosineME4659861.040.94
3-methoxytyrosineME4659111.040.94
1-palmitoylglycerol (16:0)ME4658191.040.94
1-(1-enyl-palmitoyl)-2-linoleoyl-GPC (P-16:0/18:2)*ME4657421.040.94
17-methylstearateME4657771.040.94
nicotinamideME4663431.040.95
mead acid (20:3n9)ME4662721.040.95
glycineME4661741.040.95
galactonateME4661371.040.95
dopamine 3-O-sulfateME4661101.040.95
delta-tocopherolME4660851.040.95
1-stearoyl-2-linoleoyl-GPE (18:0/18:2)*ME4658291.040.95
1-lignoceroyl-GPC (24:0)ME4657821.040.95
1-oleoyl-GPI (18:1)*ME4658041.040.95
thyroxineME4665211.060.92
sphingosineME4664851.060.92
sphingomyelin (d18:1/20:1, d18:2/20:0)*ME4664701.060.92
palmitoyl dihydrosphingomyelin (d18:0/16:0)*ME4663851.060.92
N2-methylguanosineME4662961.060.92
maltotrioseME4662671.060.92
linoleoylcholine*ME4662541.060.92
caprylate (8:0)ME4660451.060.92
caproate (6:0)ME4660441.060.92
arachidonate (20:4n6)ME4660151.060.92
1-(1-enyl-palmitoyl)-2-palmitoyl-GPC (P-16:0/16:0)*ME4657471.060.92
4-hydroxy-2-oxoglutaric acidME4659341.060.92
palmitoylcholineME4663911.060.91
oxalate (ethanedioate)ME4663781.060.91
maltotetraoseME4662661.060.91
16a-hydroxy DHEA 3-sulfateME4657731.060.91
4-acetamidophenolME4659261.060.91
S-methylmethionineME4664561.050.92
oleoylcholineME4663671.050.92
N-acetylneuraminateME4663251.050.92
N-acetylglutamateME4663171.050.92
leucylglycineME4662431.050.92
arachidonoylcholineME4660181.050.92
docosadienoate (22:2n6)ME4660991.050.92
sphingomyelin (d18:2/24:1, d18:1/24:2)*ME4664831.050.93
sphingomyelin (d18:2/23:0, d18:1/23:1, d17:1/24:1)*ME4664811.050.93
sphingomyelin (d18:1/19:0, d19:1/18:0)*ME4664681.050.93
sphingomyelin (d18:1/18:1, d18:2/18:0)ME4664671.050.93
margarate (17:0)ME4662701.050.93
lactosyl-N-palmitoyl-sphingosine (d18:1/16:0)ME4662381.050.93
lactosyl-N-nervonoyl-sphingosine (d18:1/24:1)*ME4662371.050.93
glycosyl-N-stearoyl-sphingosine (d18:1/18:0)ME4661921.050.93
ethyl glucuronideME4661271.050.93
dopamine 4-sulfateME4661111.050.93
creatineME4660701.050.93
3-hydroxy-3-methylglutarateME4658921.050.93
1-stearoyl-2-oleoyl-GPS (18:0/18:1)ME4658341.050.93
1-stearoyl-2-arachidonoyl-GPE (18:0/20:4)ME4658251.050.93
1-linoleoyl-2-linolenoyl-GPC (18:2/18:3)*ME4657861.050.93
1-methylnicotinamideME4657961.050.93
3-hydroxyoctanoateME4659021.050.94
inosineME4662241.050.94
sphingomyelin (d18:2/23:1)*ME4664821.080.88
sphingomyelin (d18:1/22:2, d18:2/22:1, d16:1/24:2)*ME4664741.080.88
palmitoyl-arachidonoyl-glycerol (16:0/20:4) [1]*ME4663881.080.88
15-methylpalmitateME4662801.080.88
7-ketolithocholateME4659741.080.88
tryptophan betaineME4665291.080.89
stachydrineME4664871.080.89
N-methylprolineME4663461.080.89
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [2]*ME4662561.080.89
hexanoylglutamineME4662001.080.89
glycosyl ceramide (d18:2/24:1, d18:1/24:2)*ME4661881.080.89
corticosteroneME4660651.080.89
dihomo-linolenate (20:3n3 or n6)ME4660901.080.89
inosine 5^-monophosphate (IMP)ME4662251.070.91
adrenate (22:4n6)ME4659901.070.91
androstenediol (3beta,17beta) monosulfate (2)ME4660101.070.91
pentadecanoate (15:0)ME4663991.070.90
hexadecanedioateME4661981.070.90
eicosapentaenoate (EPA; 20:5n3)ME4661161.070.90
cotinineME4660681.070.90
cortisolME4660661.070.90
beta-sitosterolME4660331.070.90
4-hydroxychlorothalonilME4659351.070.90
3-hydroxydecanoateME4658971.070.90
2-hydroxyglutarateME4658531.070.90
1-stearoyl-2-oleoyl-GPI (18:0/18:1)*ME4658331.070.90
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)ME4658301.070.90
10-nonadecenoate (19:1n9)ME4657651.070.90
1-palmitoyl-2-palmitoleoyl-GPC (16:0/16:1)*ME4658171.070.90
threonateME4665181.070.89
serotoninME4664531.070.89
linoleoyl-docosahexaenoyl-glycerol (18:2/22:6) [1]*ME4662551.070.89
1-(1-enyl-palmitoyl)-2-palmitoleoyl-GPC (P-16:0/16:1)*ME4657461.070.89
docosatrienoate (22:3n6)*ME4661081.070.89
taurochenodeoxycholateME4665071.090.87
sphingomyelin (d18:2/14:0, d18:1/14:1)*ME4664771.090.87
sphinganineME4664581.090.87
palmitate (16:0)ME4663791.090.87
guanosineME4661951.090.87
1-linoleoyl-GPI (18:2)*ME4657921.090.87
1-(1-enyl-palmitoyl)-2-oleoyl-GPC (P-16:0/18:1)*ME4657441.090.87
1,2-dipalmitoyl-GPE (16:0/16:0)*ME4657591.090.87
4-acetamidobutanoateME4659251.090.88
valerateME4665391.090.88
1-stearoyl-GPI (18:0)ME4658371.100.85
sphingomyelin (d18:2/21:0, d16:2/23:0)*ME4664801.100.86
oleate/vaccenate (18:1)ME4663621.100.86
N1,N12-diacetylspermineME4662901.100.86
eicosenoate (20:1)ME4661171.100.86
4-vinylguaiacol sulfateME4659441.100.86
3-phosphoglycerateME4659231.100.86
12-HETEME4657691.100.86
3-hydroxylaurateME4659011.100.86
tartronate (hydroxymalonate)ME4665041.110.85
hemeME4661971.110.85
glycohyocholateME4661821.110.85
docosahexaenoylcholineME4661031.110.85
4-allylphenol sulfateME4659301.110.85
3-hydroxyhexanoateME4658981.110.85
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)ME4658131.110.85
1-palmitoyl-2-oleoyl-GPI (16:0/18:1)*ME4658161.110.85
glycerophosphoinositol*ME4661721.110.84
sphingomyelin (d18:2/24:2)*ME4664841.110.84
tetradecanedioateME4665131.120.83
S-methylcysteineME4664541.120.83
linoleate (18:2n6)ME4662471.120.83
indolepropionateME4662221.120.83
dihomo-linoleate (20:2n6)ME4660891.120.83
3-hydroxybutyrylcarnitine (1)ME4658941.120.83
3,4-methyleneheptanoateME4658821.120.83
1-palmitoyl-2-oleoyl-GPE (16:0/18:1)ME4658151.120.83
2-keto-3-deoxy-gluconateME4658611.120.83
5-hydroxyhexanoateME4659641.120.84
ergothioneineME4661201.120.84
10-heptadecenoate (17:1n7)ME4657641.140.80
1-stearoyl-GPS (18:0)*ME4658381.140.80
1,2,3-benzenetriol sulfate (1)ME4657541.140.81
p-cresol-glucuronide*ME4663981.140.81
stearidonate (18:4n3)ME4664891.130.81
chiro-inositolME4660571.130.81
3-phenylpropionate (hydrocinnamate)ME4659221.130.81
16-hydroxypalmitateME4657741.130.81
1-linoleoyl-GPA (18:2)*ME4657881.130.81
sphingomyelin (d18:1/20:2, d18:2/20:1, d16:1/22:2)*ME4664711.120.82
taurocholenate sulfateME4665091.130.82
docosapentaenoate (n6 DPA; 22:5n6)ME4661051.130.82
alpha-CEHC glucuronide*ME4659961.130.82
1-palmitoyl-2-arachidonoyl-GPE (16:0/20:4)*ME4658081.130.82
3-hydroxysebacateME4659051.130.82
13-methylmyristateME4657711.150.78
3-hydroxybutyrylcarnitine (2)ME4658951.150.78
homocitrullineME4662051.150.79
adenosine 5^-monophosphate (AMP)ME4660031.150.79
docosahexaenoate (DHA; 22:6n3)ME4661011.150.79
maltoseME4662651.160.77
1-palmitoyl-2-linoleoyl-GPE (16:0/18:2)ME4658121.160.77
caprate (10:0)ME4660431.160.77
laurate (12:0)ME4662401.170.75
tauro-beta-muricholateME4665061.170.76
S-methylcysteine sulfoxideME4664551.170.76
O-acetylhomoserineME4663571.170.76
3-methylglutarylcarnitine (2)ME4659181.170.76
linolenate [alpha or gamma; (18:3n3 or 6)]ME4662481.170.76
2-oxindole-3-acetateME4658711.190.73
2-linoleoylglycerol (18:2)ME4658621.180.74
myristate (14:0)ME4662831.180.74
4-acetamidophenylglucuronideME4659271.180.75
taurolithocholate 3-sulfateME4665111.180.75

Factors:

F1Sex:Female
F2Sex:Male
Data matrix
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