Exact Mass: 486.1373
Exact Mass Matches: 486.1373
Found 500 metabolites which its exact mass value is equals to given mass value 486.1373
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(acetylthio)methyl-1-oxoprolyl]glycine benzyl ester
Mycothiol
A pseudodisaccharide, 1D-myo-inosityl-alpha-D-glucopyranoside, in which the hydroxy group at the 2-position of the glucose moiety is replaced by an (N-acetyl-L-cysteinyl)amido group.
Foeniculoside X
Foeniculoside x is a member of the class of compounds known as tetracenequinones. Tetracenequinones are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. Foeniculoside x is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Foeniculoside x can be found in fennel, which makes foeniculoside x a potential biomarker for the consumption of this food product.
isonocardicin C
A monobactam that is produced by Nocardia uniformis subsp. tsuyamanensis.
OTSSP167
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor
4'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate)
4-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate) is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Olradipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker C93038 - Cation Channel Blocker
1-(3,4-Dimethoxyphenyl)-2,3-bis(methoxycarbonyl)-4-hydroxy-6,7,8-trimethoxynaphthalene
Xeroboside
(2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-(5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
2-methoxypodophyllotoxin acetate|5-Methoxypodophyllotoxin acetate|6-methoxypodophyllotoxin 7-O-acetate
(-)-epigallocatechin 3-O-(3,5-di-O-methyl-gallate)|(-)-epigallocatechin-3-O-(3,5-O-dimethyl)-gallate
alpha-D-glucopyranuronosyl-(1->3)-alpha-L-rhamnopyranosyl-(1->2)-alpha-rhamnopyranose
5-hydroxy-2-methylchromone-7-O-apio-beta-D-furanosyl-(1->6)-beta-D-glucopyranoside
5,7-dihydroxychromone-7-neohesperidoside|7-{[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-4H-1-benzopyran-4-one
O6-(O6-beta-D-Fructofuranosyl-beta-D-fructofuranosyl)-1,2-anhydro-beta-D-fructofuranose
O2,O3,O4-triacetyl-O1-biphenyl-2-yl-beta-D-glucopyranuronic acid methyl ester|O2,O3,O4-Triacetyl-O1-biphenyl-2-yl-beta-D-glucopyranuronsaeure-methylester|Triacetyl-2-hydroxydiphenylglucosiduronsaeuremethylester
(3alpha,3alpha,4beta,4beta)-3,3-dimethoxy-cis-[4,4-bis(3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran)]-5,5,10,10-tetraone
(5S,6S,7R)-2-[2-(2-Acetoxyphenyl)ethyl]-5??,6??,7??-triacetoxy-5,6,7,8-tetrahydrochromone (AH9)|(5S,6S,7R)-2<2-(2-acetoxyphenyl)ethyl>-5a,6a,7a-triacetoxy-5,6,7,8,8-pentahydrochromone|(5S,6S,7R)-2[2-(2-acetoxyphenyl)ethyl]-5a,6a,7a-triacetoxy-5,6,7,8,8-pentahydrochromone
umbelliferone 6-O-trans-caffeoyl-beta-D-glucopyranoside
(+)-4beta-(2-hydroxyethylsulfanyl)-6-<1-(2-hydroxyethylsulfanyl)ethyl>epigallocatechin
5beta-hydroxy-1-O-(6-O-p-hydroxybenzoyl)-beta-D-glucopyranosyl eucommiol
2-allyl-4,5-methylenedioxyphenol-1-O-alpha-L-rhamnopyranosyl-(1<*>6)-O-beta-D-glucopyranoside|2-allyl-4,5-methylenedioxyphenol-1-O-alpha-L-rhamnopyranosyl-(1[*]6)-O-beta-D-glucopyranoside
5-hydroxy-7-O-(6-O-p-cis-coumaroyl-beta-D-glucopyranosyl)chromone
2-(10,11-dihydroxy-1-bibenzyl-oxy)-1-methoxy-6,10,11-trihydroxy-7,8-dihydro-phenanthrene
1-O-beta-D-fructofuranosyl di-D-fructofuranose beta2,6:beta2,6 dianhydride
(-)-4beta-(2-hydroxyethylsulfanyl)-8-<1-(2-hydroxyethylsulfanyl)ethyl>epigallocatechin
6,7-dihydroxycoumarin-7-(6-O-alpha-rhamnosyl--beta-D-glucopyranoside)|6-hydroxycoumarin 7-O-alpha-rhamnopyranosyl-(1->6) O-beta-D-glucopyranoside
8-deepoxyangeloyl-8-<2-hydroxy-3-chloro-isobutyroyl>enhydrin
5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione
(3R)-4-[6-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid
7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methoxychromen-2-one
5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione
5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione [IIN-based on: CCMSLIB00000845627]
5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione [IIN-based: Match]
(2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-(5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione_major
(2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-(5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione_63.1\\%
5-(1,2,3,4,5,6-hexahydroxyhexoxy)-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-3H-pyrano[3,4-h][1]benzoxepine-2,7-dione_major
(2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-(5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione_60.8\\%
Ala Cys Met Tyr
Ala Cys Tyr Met
Ala Met Cys Tyr
Ala Met Tyr Cys
Ala Tyr Cys Met
Ala Tyr Met Cys
Cys Ala Met Tyr
Cys Ala Tyr Met
Cys Cys Asp Phe
Cys Cys Phe Asp
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Cys His Met Pro
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Cys Met Cys Met
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Cys Met Tyr Ala
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Cys Ser Phe Met
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Cys Val Cys Tyr
Cys Val Tyr Cys
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Asp Cys Cys Phe
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Asp Asp Thr His
Asp Glu His Ser
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Asp Phe Cys Cys
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Asp His Ser Glu
Asp His Thr Asp
Asp Ser Cys Tyr
Asp Ser Glu His
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Asp Ser Tyr Cys
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Asp Tyr Ser Cys
Glu Asp His Ser
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Glu His Ser Asp
Glu Ser Asp His
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Phe Cys Cys Asp
Phe Cys Asp Cys
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Phe Cys Ser Met
Phe Asp Cys Cys
Phe Met Cys Ser
Phe Met Ser Cys
Phe Ser Cys Met
Phe Ser Met Cys
His Cys Met Pro
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His Cys Pro Met
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His Asp Ser Glu
His Asp Thr Asp
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His Met Cys Pro
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Met Ala Cys Tyr
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Met Cys Tyr Ala
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Pro Met His Cys
Ser Cys Asp Tyr
Ser Cys Phe Met
Ser Cys Met Phe
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Ser Asp Glu His
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Ser Asp Tyr Cys
Ser Glu Asp His
Ser Glu His Asp
Ser Phe Cys Met
Ser Phe Met Cys
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Ser Met Cys Phe
Ser Met Phe Cys
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Val Cys Cys Tyr
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4',4'-O-Dimethylepigallocatechin 3-O-gallate
5-[(1,2,3,4,5,6-Hexahydroxyhexyl)oxy]-6-hydroxy-3-methoxy-9-methyl-4,5-dihydro-7H-oxepino[2,3-g]isochromene-2,7(3H)-dione
(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyl 2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyacetate
N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(dipropylamino)phenyl]acetamide
Pyrimido[4,5-g]quinazoline-4,9-dione,1,6-dihydro-5,10-dimethoxy-2,7-bis(phenoxymethyl)- (9CI)
fluclorolone acetonide
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate
Cleiton
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3,6-dimethyl-1-N,4-N-bis[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazine-1,4-dicarboxamide
Allylchloro[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]palladium(II),
(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5S)-3,5-dihydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
N-[2-(7-bromo-5-oxo-9-pentyl-6H-[1,2,4]triazolo[4,3-a]purin-3-yl)ethyl]-2-methylpyridine-4-carboxamide
1-methyl-4-[3,3,3-tris(4-chlorophenyl)propionyl]piperazine
N-octyl-4-metylpyridinium bis((trifluoromethyl)sulfonyl)imide
N-octyl-3-metylpyridinium bis((trifluoromethyl)sulfonyl)imide
Momelotinib dihydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor
1-(3,4-Dimethoxyphenyl)-2,3-bis(methoxycarbonyl)-4-hydroxy-6,7,8-trimethoxynaphthalene
(betaR)-6-(2,6-Dideoxy-beta-D-glucopyranosyl)-9,10-dihydro-beta,1,5-trihydroxy-beta-methyl-9,10-dioxoanthracene-2-butanoic acid
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctadec-7-ene
1-(2,6-Dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-YL-3,4-dihydroquinolin-2(1H)-one
(2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1$l^{6},2-thiazolidin-5-yl]phenyl}ethyl]-2-acetamido-3-phenylpropanamide
2,3,4a,8-Tetrahydroxy-12b-(5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
(2R)-2-azaniumyl-4-{4-[(1R)-1-azaniumyl-2-({(3S)-1-[(R)-carboxylato(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-2-oxoethyl]phenoxy}butanoate
(2S)-2-amino-4-{4-[(R)-amino({[(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]carbamoyl})methyl]phenoxy}butanoate
3-oxo-3-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-(4-oxo-2-phenylchromen-7-yl)oxyoxan-2-yl]methoxy]propanoic acid
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2S,4R)-4-propylpyrrolidine-2-carboxylate
3,4,5-Trihydroxy-6-[1-methyl-4-(8-oxo-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-ium-1-yl]oxane-2-carboxylic acid
3-(3,4-Dihydroxyphenyl)-7-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
2-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thieno[3,2-d]pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
2-[[6-[(5-Chloro-2,4-dimethoxyanilino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid
N-[5-(Diethylsulfamoyl)-2-methoxyphenyl]-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
diethyl 1-(3-fluorophenyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
1-[3-[(5-bromo-2-pyridinyl)-(phenylmethyl)amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea
2-fluoro-N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
N-[(2S,3R,6R)-6-[2-(benzylsulfonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzenesulfonamide
N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
2-[(3S,6aR,8S,10aR)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
2-[(3S,6aR,8R,10aR)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
2-[(3R,6aR,8S,10aR)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-piperidin-1-ylethanone
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide
2-fluoro-N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
2-fluoro-N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
2-fluoro-N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
2-[(3R,6aR,8R,10aR)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
(6R,7S,8R)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide
4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide
4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide
4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(phenylmethyl)sulfonylamino]ethyl]-3-oxanyl]benzenesulfonamide
2-fluoro-N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
2-fluoro-N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
2-fluoro-N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
2-fluoro-N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]benzenesulfonamide
N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
2-[(3S,6aS,8S,10aS)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
2-[(3S,6aS,8R,10aS)-1-(3-chlorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(2-phenylethynyl)phenyl]-4-(phenylmethyl)sulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one
(Z)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctadec-7-ene
6-[5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-hydroxy-2-[(1E)-3-methylbuta-1,3-dienyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Nocardicin C
A monobactam that is produced by Nocardia uniformis subsp. tsuyamanensis.
nocardicin C dizwitterion
An alpha-amino acid zwitterion resulting from a transfer of two protons from the carboxy groups to the amino groups of nocardicin C; major species at pH 7.3.
isonocardicin C dizwitterion
An alpha-amino acid zwitterion resulting from a transfer of two protons from the carboxy groups to the amino groups of isonocardicin C; major species at pH 7.3.
(10r,11r,15r,16r)-8-methoxy-14-oxo-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl acetate
5-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-4-one
7-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-5-hydroxy-2-methylchromen-4-one
3-(acetyloxy)-2-[(4,5-dihydroxy-7-methyl-10-oxo-9h-anthracen-2-yl)oxy]-5-hydroxy-6-methyloxan-4-yl acetate
(2s,3s,4s,5r,6s)-6-{[(2s,3s,4r,5r,6s)-3,5-dihydroxy-2-methyl-6-{[(2r,3r,4r,5r,6s)-2,4,5-trihydroxy-6-methyloxan-3-yl]oxy}oxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
4-[(2r,3s)-3-(3,5-dihydroxyphenyl)-7-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
5-[3-(3,4-dihydroxyphenyl)-7-[2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,3-diol
7-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxychromen-2-one
(3e,5r)-5-[(1r,5r,6z,9e,13r,15r)-5-(acetyloxy)-10-chloro-6-(hydroxymethyl)-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
7-{[(2s,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-methoxychromen-2-one
(1'r,2s,3's,4's,5r,7'r,10'r)-3'-hydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-3,9',13'-trioxo-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecan]-4'-yl acetate
5-[2-(3,4-dihydroxyphenyl)-5-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-yl]benzene-1,3-diol
(1r,2s,3r)-2-(3,5-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-[(s)-(4-hydroxyphenyl)(methoxy)methyl]-2,3-dihydro-1h-indene-4,6-diol
7-{[(2s,3s,4r,5r,6s)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-6-methoxychromen-2-one
(2r)-n-[(2r,3r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1s,2r,3r,4r,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}oxan-3-yl]-2-[(1-hydroxyethylidene)amino]-3-sulfanylpropanimidic acid
8,16-bis(3,4-dihydroxyphenyl)tetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-2,4,6,10,12,14-hexaene-4,6,12,14-tetrol
5-[(2r,3r)-3-(3,4-dihydroxyphenyl)-7-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,3-diol
(3e,5r)-5-[(1s,5s,6e,9z,11r,13s,15s)-5-(acetyloxy)-10-chloro-11-hydroxy-6-methyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid
(5-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl)methyl 2-methylbut-2-enoate
6-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-6'-[(1e)-2-(3,5-dihydroxyphenyl)ethenyl]-[1,1'-biphenyl]-2,3',4,4'-tetrol
methyl 6a,10a,12-trihydroxy-3,7,10-trimethoxy-1-methyl-6,8,11-trioxo-7h-tetracene-2-carboxylate
8-methoxy-14-oxo-16-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8-trien-10-yl acetate
{3,4,5-trihydroxy-6-[(2-oxochromen-7-yl)oxy]oxan-2-yl}methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(2s,3r,4as,12br)-2,3,4a,8-tetrahydroxy-12b-{[(2r,5r,6r)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
6-hydroxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}chromen-2-one
5-{[(2s,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-7-hydroxy-2-methylchromen-4-one
[(3s,4r,5s)-5-{[(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl]oxy}-3,4-dihydroxyoxolan-3-yl]methyl (2e)-2-methylbut-2-enoate
3β-angeloyloxy-8β-methoxyeremophil-7(11)-ene-12,8α(14β,6α)-diolide
{"Ingredient_id": "HBIN008189","Ingredient_name": "3\u03b2-angeloyloxy-8\u03b2-methoxyeremophil-7(11)-ene-12,8\u03b1(14\u03b2,6\u03b1)-diolide","Alias": "NA","Ingredient_formula": "C25H26O10","Ingredient_Smile": "CC(=O)OC1CC2=C(C(C1OC(=O)C)OC(=O)C)C(=O)C=C(O2)CCC3=CC=CC=C3OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1230","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,3'-dipropanoyloxy-3,6,7,4'-tetramethoxy-fla-vone
{"Ingredient_id": "HBIN011027","Ingredient_name": "5,3'-dipropanoyloxy-3,6,7,4'-tetramethoxy-fla-vone","Alias": "NA","Ingredient_formula": "C25H26O10","Ingredient_Smile": "CCC(=O)OC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC(=O)CC)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6499","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5s,6s,7r)-2-[2-(2-acetoxyphenyl)ethyl]-5α,6β,7α-triacetoxy-5,6,7,8-tetrahydrochro-mone(ah9)
{"Ingredient_id": "HBIN011946","Ingredient_name": "(5s,6s,7r)-2-[2-(2-acetoxyphenyl)ethyl]-5\u03b1,6\u03b2,7\u03b1-triacetoxy-5,6,7,8-tetrahydrochro-mone(ah9)","Alias": "(5s,6s,7r)-2-[2-(2-acetoxyphenyl)ethyl]-5alpha,6beta,7alpha-triacetoxy-5,6,7,8-tetrahydrochromone (ah9); (5s,6s,7r)-2-[2-(2-acetoxyphenyl)ethyl]-5alpha,6beta,7alpha-triacetoxy-5,6,7,8-tetrahydrochromone(ah9)","Ingredient_formula": "C25H26O10","Ingredient_Smile": "CC(=O)OC1CC2=C(C(C1OC(=O)C)OC(=O)C)C(=O)C=C(O2)CCC3=CC=CC=C3OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14129;SMIT18830","TCMID_id": "275;25321","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-91
{"Ingredient_id": "HBIN016342","Ingredient_name": "anticancer flavonoid pmv70p691-91","Alias": "NA","Ingredient_formula": "C29H26O7","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)COC(=O)C=CC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1417","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancer flavonoid pmv70p691-97
{"Ingredient_id": "HBIN016344","Ingredient_name": "anticancer flavonoid pmv70p691-97","Alias": "NA","Ingredient_formula": "C29H26O7","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=C(C=C2)O)O)COC(=O)C=CC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1421","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}