compound,formula,id,rt
cholesteryl sulfate,C27H46O4S,HMDB00653,17.25
Deoxycholic acid,C26H43NO5,C05464,16.79
trans_trans-farnesyl diphosphate,C15H28O7P2,C00448,16.74
Cholic acid,C24H40O5,HMDB00619,16.69
Geranyl-PP,C10H20O7P2,C00341,16.46
Taurodeoxycholic acid,C26H45NO6S,C05463,16.23
lipoate,C8H14O2S2,C00725,15.97
3-hydroxy-3-methylglutaryl-CoA-nega,C27H44N7O20P3S,C00356,15.72
butyryl-CoA,C25H42N7O17P3S,C00630,15.72
malonyl-CoA,C24H38N7O19P3S,C00083,15.7
propionyl-CoA,C24H40N7O17P3S,C00100,15.64
acetoacetyl-CoA,C25H40N7O18P3S,C00332,15.5
acetyl-CoA,C23H38N7O17P3S,C00024,15.46
dGTP,C10H16N5O13P3,C00002,15.46
succinyl-CoA/methylmalonyl-CoA,C25H40N7O19P3S,C00091|C00683|C02557,15.41
malonyl-CoA,C24H38N7O19P3S,C00083,15.41
3-methylphenylacetic acid,C9H10O2,HMDB02222,15.41
coenzyme A,C21H36N7O16P3S,C00010,15.4
acetoacetyl-CoA,C25H40N7O18P3S,C00332,15.36
Phenylpropiolic acid,C9H6O2,HMDB00563,15.2
3-hydroxybutyryl-CoA,C25H42N7O18P3S,C01144|C03561,15.2
guanosine 5'-diphosphate-3'-diphosphate,C10H11N5O17P4,,15.18
Indoleacrylic acid,C11H9NO2,HMDB00734,14.94
5-phosphoribosyl-1-pyrophosphate,C5H13O14P3,C00119,14.94
dephospho-CoA,C21H35N7O13P2S,C00882,14.94
dTTP,C10H17N2O14P3,C00459,14.94
GTP,C10H16N5O14P3,C00044,14.94
ATP,C10H16N5O13P3,C00002,14.94
dATP,C10H16N5O12P3,C00131,14.94
NADPH,C21H30N7O17P3,C00005,14.87
phenylpyruvate,C9H8O3,C00166,15.1
UTP,C9H15N2O15P3,C00075,14.81
dUTP,C9H15N2O14P3,C00460,14.81
dephospho-CoA,C21H35N7O13P2S,C00882,14.7
Phenyllactic acid,C9H10O3,?,14.68
2_3-Diphosphoglyceric acid,C3H8O10P2,C01159,14.68
CTP,C9H16N3O14P3,C00063,14.9
dCTP,C9H16N3O13P3,C00458,14.8
FMN,C17H21N4O9P,C00061,14.4
UDP-D-glucuronate,C15H22N2O18P2,C00167,14.68
dGDP,C10H15N5O10P2,C00008,14
Hydroxyphenylacetic acid,C8H8O3,C05852,14.68
IDP,C10H14N4O11P2,C00104,13.9
Indole-3-carboxylic acid,C9H7NO2,HMDB03320,14.31
Kynurenic acid,C10H7NO3,C01717,14.22
cyclic bis(3'->5') dimeric GMP,C20H24N10O14P2,C16463,14.2
4-Pyridoxic acid,C8H9NO4,C00847,14.14
Xanthurenic acid,C10H7NO4,C02470,14.14
NADH,C21H29N7O14P2,C00004,14.14
ADP-D-glucose,C16H25N5O15P2,C00498,14.14
GDP,C10H15N5O11P2,C00035,13.9
ADP,C10H15N5O10P2,C00008,13.8
Hydroxyisocaproic acid,C6H12O3,HMDB00746,14.14
5-methyl-THF,C20H25N7O6,C00440,14.1
aconitate,C6H6O6,C00417|C02341,14
2-Isopropylmalic acid,C7H12O5,C02504,13.87
Pyrophosphate,P2H4O7,C00013,13.87
citrate/isocitrate,C6H8O7,C00158|C00311,13.6
isocitrate,C6H8O7,C00311,13.6
citrate,C6H8O7,C00158,13.6
1_3-diphopshateglycerate,C3H8O10P2,31,
phosphoenolpyruvate,C3H5O6P,C00074,13.87
NADP+,C21H28N7O17P3,C00006,13.87
prephenate,C10H10O6,C00251,13.87
UDP,C9H14N2O12P2,C00015,13.81
2-oxo-4-methylthiobutanoate,C5H8O3S,C01180,13.75
oxaloacetate,C4H4O5,C00036,13.64
Sedoheptoluse bisphosphate,C7H16O13P2,,13.64
Octoluse Bisphosphate,C8H18O14P2,,13.64
7_8-dihydrofolate,C19H21N7O6,25.2,
folate,C19H19N7O6,C00504,13.6
hydroxyphenylpyruvate,C9H8O4,C01179,13.58
dCDP,C9H15N3O10P2,C00705,13.58
2_3-dihydroxybenzoic acid,C7H6O4,C00196,13.58
quinolinate,C7H5NO4,C03722,13.58
fructose-1-6-bisphosphate,C6H14O12P2,,13.5
3-phosphoglycerate,C3H7O7P,C00197,13.58
UDP-N-acetyl-glucosamine,C17H27N3O17P2,C00043,13.58
dTDP,C10H16N2O11P2,C00363,13.58
adenosine 5'-phosphosulfate,C10H14N5O10PS,C00224,13.58
orotidine-5'-phosphate,C10H13N2O11P,C01103,13.58
CDP,C9H15N3O11P2,C00112,13.53
fumarate,C4H4O4,C00122,13.5
anthranilate,C7H7NO2,C00108,13.47
shikimate-3-phosphate,C7H11O8P,C03175,13.44
UDP-D-glucose,C15H24N2O17P2,C00029,13.44
cyclic-AMP,C10H12N5O6P,C00575,13.44
6-phospho-D-gluconate,C6H13O10P,C00345,13.38
Citraconic acid,C5H6O4,C02226,13.29
a-ketoglutarate,C5H6O5,C00026,13.15
2-keto-isovalerate,C5H8O3,C00141,13.06
N-acetyl-glutamate,C7H11NO5,C00624,13
glutathione disulfide,C20H32N6O12S2,C00127,12.94
xanthosine-5-phosphate,C10H13N4O9P,C00655,12.7
malate,C4H6O5,C00149|C00497|C00711,12.7
acetylphosphate,C2H5O5P,C00227,12.38
N-carbamoyl-L-aspartate,C5H8N2O5,C00438,12.25
riboflavin,C17H20N4O6,C00255,12.1
2-Hydroxy-2-methylbutanedioic acid,C5H8O5,,12.06
Carbamoyl phosphate,CH4NO5P,C00169,12.06
dAMP,C10H14N5O6P,C00360,12
3-S-methylthiopropionate,C4H8O2S,C08276,11.92
Methylmalonic acid,C4H6O4,C02170,11.72
AMP,C10H14N5O7P,C00020,11.3
dTMP,C10H15N2O8P,C00364,11.27
nicotinate,C6H5NO2,C00253,11.2
succinate,C4H6O4,C00042,11.6
thiamine-phosphate,C12H18N4O4PS,C01081,11
dGMP,C10H14N5O7P,C00362,11
2-oxobutanoate,C4H6O3,C00109,10.95
shikimate,C7H10O5,C04236,10.92
p-hydroxybenzoate,C7H6O3,C00156|C00587,10.88
GMP,C10H14N5O8P,C06193,10.5
IMP,C10H13N4O8P,C00130,10.5
pantothenate,C9H17NO5,C00864,11
dUMP,C9H13N2O8P,C00365,10.28
UMP,C9H13N2O9P,C00105,10
dCMP,C9H14N3O7P,C00239,9.8
Thiamine pyrophosphate,C12H19N4O7P2S,C00068,9.56
p-aminobenzoate,C7H7NO2,C00568,8.7
NAD+,C21H27N7O14P2,C00003,8.62
CMP,C9H14N3O8P,C00055,8.5
dihydroxy-acetone-phosphate,C3H7O6P,C00111,9
pyruvate,C3H4O3,C00022,8.39
orotate,C5H4N2O4,C00295,8.1
3-phospho-serine,C3H8NO6P,C01005,8.2
deoxyadenosine,C10H13N5O3,C00559,8
N-Acetyl-L-alanine,C5H9NO3,C01073,7.97
glutathione,C10H17N3O6S,C00051,7.7
deoxyribose-phosphate,C5H11O7P,C00673,7.74
acetoacetate,C4H6O3,C00164,7.74
xanthosine,C10H12N4O6,C01762,7.74
Pyroglutamic acid,C5H7NO3,C01879,7.69
indole,C8H7N,C16074,7.5
D-erythrose-4-phosphate,C4H9O7P,C00279,7.45
glyoxylate,C2H2O3,C00048,7.45
D-glyceraldehdye-3-phosphate,C3H7O6P,C00111|C00661,7.35
N-acetyl-glucosamine-1/6-phosphate,C8H16NO9P,C04256|C00357,7.3
sn-glycerol-3-phosphate,C3H9O6P,C00093,7.3
myo-inositol,C6H12O6,C00137,7.2
tryptophan,C11H12N2O2,C00078|C00525|C00806,7.5
glucose-1-phosphate,C6H13O9P,C00103,7.3
dihydroorotate,C5H6N2O4,C00337,6.9
S-adenosyl-L-homocysteine,C14H20N6O5S,C00021,7.1
fructose-6-phosphate,C6H13O9P,C00085,7.2
hexose-phosphate,C6H13O9P,C00085,7
N-acetyl-glutamine,C7H12N2O4,HMDB06029,7
S-adenosyl-L-methionine,C15H23N6O5S,C00019,7
Sedoheptulose 7-phosphate,C7H15O10P,C00281|C05382|C06222,6.95
lactate,C3H6O3,C00186|C00256|C01432,6.95
glycolate,C2H4O3,C00160,6.95
trehalose-6-Phosphate,C12H23O14P,C00689,6.95
glucose-6-phosphate,C6H13O9P,C00085,6.85
glycerate,C3H6O4,C00258,6.69
Ascorbic acid,C6H8O6,C00072,6.59
glucono-??-lactone,C6H10O6,C00198,6.59
CDP-ethanolamine,C11H20N4O11P2,C00570,6.38
CDP-choline,C14H26N4O11P2,C00307,6.33
D-glucono-??-lactone-6-phosphate,C6H11O9P,C01236,6.17
Uric acid,C5H4N4O3,C00366,6.17
ribose-phosphate,C5H11O8P,C00117,6
Octoluse 8/1P,C8H17O11P,,6
S-adenosyl-L-homoCysteine,C14H20N6O5S,C00021,6
allantoate,C4H8N4O4,C00499,5.62
thymidine,C10H14N2O5,C00214,5.4
2-dehydro-D-gluconate,C6H10O7,C00629,5
D-gluconate,C6H12O7,C00257,5
homocysteic acid,C4H9NO5S,C16511,4.8
deoxyguanosine,C10H13N5O4,C00212,4.8
adenosine,C10H13N5O4,C00212,6.7
aspartate,C4H7NO4,C00049,4.05
glutamate,C5H9NO4,C00025,4.2
guanosine,C10H13N5O5,C00387,4
deoxyinosine,C10H12N4O4,C05512,3.9
Cellobiose,C12H22O11,C00185,3.86
phenylalanine,C9H11NO2,C00079,3.8
deoxyuridine,C9H12N2O5,C00526,3.54
inosine,C10H12N4O5,C00294,3.5
adenine,C5H5N5,C00147,3.5
guanine,C5H5N5O,C00242,3.4
Aminoadipic acid,C6H11NO4,C00956,3.22
thymine,C5H6N2O2,C00178,2.6
tyrosine,C9H11NO3,C00082,2
leucine/isoleucine,C6H13NO2,C00123,1.9
Guanidoacetic acid,C3H7N3O2,C00581,1.89
pyridoxine,C8H11NO3,C00314,1.8
uridine,C9H12N2O6,C00299,1.7
methionine,C5H11NO2S,C00073,1.5
biotin,C10H16N2O3S,C00120,12.6
cytidine,C9H13N3O5,C00475,1.2
xanthine,C5H4N4O2,C00385,1.18
hypoxanthine,C5H4N4O,C00262,1.18
uracil,C4H4N2O2,C00106,1.18
trehalose/sucrose,C12H22O11,C00089,1.18
proline,C5H9NO2,C00148,1.12
glutamine,C5H10N2O3,C00064,1.1
O-acetyl-L-serine,C5H9NO4,C00979,1.1
cysteine,C3H7NO2S,C00097,1.1
cystathionine,C7H14N2O4S,C00542,1
N-acetyl-L-ornithine,C7H14N2O3,C00437,1
D-glucosamine-6-phosphate,C6H14NO8P,C00352,1
D-glucosamine-1-phosphate,C6H14NO8P,C03783,1
histidine,C6H9N3O2,C00135,1
ornithine,C5H12N2O2,C00077,1
valine,C5H11NO2,C00183,1
asparagine,C4H8N2O3,C00152,1
cytosine,C4H5N3O,C00380,1
threonine,C4H9NO3,C00188,1
homoserine,C4H9NO3,C00263,1
homocysteine,C4H9NO2S,C00155,1
serine,C3H7NO3,C00065,1
alanine,C3H7NO2,C00041,1
citrulline,C6H13N3O3,C00327,0.9
allantoin,C4H6N4O3,C01551,0.82
taurine,C2H7NO3S,C00245,0.82
lysine,C6H14N2O2,C00047,0.8
histidinol,C6H11N3O,C00860,0.8
thiamine,C12H17N4OS,C00378,0.8
glucosamine,C6H13NO5,C00329,0.7
S-ribosyl-L-homocysteine-nega,C9H17NO6S,C03539,0.68
arginine,C6H14N4O2,C00062,0.6
Creatinine,C4H7N3O,C00791,
Imidazoleacetic acid,C6H8N2O2,C05828,
DL-Pipecolic acid,C6H11NO2,C00408,
N-Acetylputrescine,C6H14N2O,C02714,1
Methylcysteine,C4H9NO2S,C00155|C05330,1
Pyridoxamine,C8H12N2O2,C00534,7.6
1-Methyl-Histidine,C7H11N3O2,C01152,2
Acetyllysine,C8H16N2O3,C02727|C12989,1.1
Acetylcarnitine,C9H18NO4,C02571,2.4
Kynurenine,C10H12N2O3,C00328|C01718,3.6
Flavone,C15H10O2,C15608,7.7
Glycerophosphocholine,C8H21NO6P,C00670,
1-Methyladenosine,C11H15N5O4,C02494,3
Nicotinamide ribotide,C11H15N2O8P,C00455,
Diiodothyronine,C15H13I2NO4,HMDB00582,
Atrolactic acid,C9H10O3,HMDB00475,
D-glucarate,C6H10O8,C00767,13
aminoimidazole carboxamide ribonucleotide,C9H15N4O8P,C04677,
acadesine,C9H14N4O5,D02742,
carnitine,C7H15NO3,C00318|C15025,1
nicotinamide,C6H6N2O,C00153,
choline,C5H14NO,C00114,
4-aminobutyrate,C4H9NO2,C00334,4
glycine,C2H5NO2,C00037,1
FAD,C27H33N9O15P2,C00016,15
S-adenosyl-L-methioninamine,C14H23N6O3S,C01137,1
S-methyl-5'-thioadenosine,C11H15N5O3S,C00170,11.6
L-arginino-succinate,C10H18N4O6,C03406,7.7
ethanolamine,C2H7NO,C00189,
betaine aldehyde,C5H12NO,C00576,
dimethylglycine,C4H9NO2,C01026,
betaine,C5H11NO2,C00719,
purine,C5H4N4,C00465,
creatine,C4H9N3O2,C00300,
hydroxyproline,C5H9NO3,C01157,1
methylnicotinamide,C7H9N2O,C02918,3.5
2-Aminooctanoic acid,C8H17NO2,HMDB00991,
Methionine sulfoxide,C5H11NO3S,HMDB02005,
Phosphorylcholine,C5H15NO4P,C00588,
NG-dimethyl-L-arginine,C8H18N4O2,,
N-acetyl-glucosamine,C8H15NO6,C00357|C04256,2
5-methoxytryptophan,C12H14N2O3,HMDB02339,
Cystine,C6H12N2O4S2,C00491,
7-methylguanosine,C11H16N5O5,HMDB01107,12
sarcosine,C3H7NO2,C00213,1
xylulose-phosphate,C5H11O8P,C00117,6
