Exact Mass: 486.1539
Exact Mass Matches: 486.1539
Found 500 metabolites which its exact mass value is equals to given mass value 486.1539
,
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.
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
2-[[5-[3-(Dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione
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
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
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
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
callophycoic acid A
A dibenzooxepine diterpenoid that is hexahydrodibenzo[b,e]oxepine with an isolated double bond between positions 6a and 7 and is substituted by a bromo, a carboxy, a 3E-4,8-dimethylnona-3,7-dien-1-yl and a methyl group at positions 9, 2, 10 and 10 respectively (the 9S,10S,10aR stereoisomer). It is isolated from the Fijian red alga Callophycus serratus and exhibits antibacterial, antimalarial and anticancer activities.
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
1-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
callophycoic acid B
A dibenzooxepine diterpenoid that is hexahydrodibenzo[b,e]oxepine with an isolated double bond between positions 6 and 6a and is substituted by a bromo, a carboxy, a 3E-4,8-dimethylnona-3,7-dien-1-yl and a methyl group at positions 9, 2, 10 and 10 respectively (the 9S,10S,10aR stereoisomer). An isomer of callophycoic acid A, it is isolated from the Fijian red alga Callophycus serratus and exhibits antibacterial, antimalarial and anticancer activities.
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
Cys Cys Val Tyr
Cys Cys Tyr Val
Cys Asp Cys Phe
Cys Asp Phe Cys
Cys Asp Ser Tyr
Cys Asp Tyr Ser
Cys Phe Cys Asp
Cys Phe Asp Cys
Cys Phe Met Ser
Cys Phe Ser Met
Cys His Met Pro
Cys His Asn Asn
Cys His Pro Met
Cys Met Ala Tyr
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Cys Met His Pro
Cys Met Pro His
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Cys Met Tyr Ala
Cys Asn His Asn
Cys Asn Asn His
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Cys Pro Met His
Cys Ser Asp Tyr
Cys Ser Phe Met
Cys Ser Met Phe
Cys Ser Tyr Asp
Cys Thr Thr Tyr
Cys Thr Tyr Thr
Cys Val Cys Tyr
Cys Val Tyr Cys
Cys Tyr Ala Met
Cys Tyr Cys Val
Cys Tyr Asp Ser
Cys Tyr Met Ala
Cys Tyr Ser Asp
Cys Tyr Thr Thr
Cys Tyr Val Cys
Asp Cys Cys Phe
Asp Cys Phe Cys
Asp Cys Ser Tyr
Asp Cys Tyr Ser
Asp Asp His Thr
Asp Asp Thr His
Asp Glu His Ser
Asp Glu Ser His
Asp Phe Cys Cys
Asp His Asp Thr
Asp His Glu Ser
Asp His Ser Glu
Asp His Thr Asp
Asp Ser Cys Tyr
Asp Ser Glu His
Asp Ser His Glu
Asp Ser Tyr Cys
Asp Thr Asp His
Asp Thr His Asp
Asp Tyr Cys Ser
Asp Tyr Ser Cys
Glu Asp His Ser
Glu Asp Ser His
Glu His Asp Ser
Glu His Ser Asp
Glu Ser Asp His
Glu Ser His Asp
Phe Cys Cys Asp
Phe Cys Asp Cys
Phe Cys Met Ser
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
His Cys Asn Asn
His Cys Pro Met
His Asp Asp Thr
His Asp Glu Ser
His Asp Ser Glu
His Asp Thr Asp
His Glu Asp Ser
His Glu Ser Asp
His Met Cys Pro
His Met Pro Cys
His Asn Cys Asn
His Asn Asn Cys
His Pro Cys Met
His Pro Met Cys
His Ser Asp Glu
His Ser Glu Asp
His Thr Asp Asp
Met Ala Cys Tyr
Met Ala Tyr Cys
Met Cys Ala Tyr
Met Cys Phe Ser
Met Cys His Pro
Met Cys Pro His
Met Cys Ser Phe
Met Cys Tyr Ala
Met Phe Cys Ser
Met Phe Ser Cys
Met His Cys Pro
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Met Ser Cys Phe
Met Ser Phe Cys
Met Ser Ser Tyr
Met Ser Tyr Ser
Met Tyr Ala Cys
Met Tyr Cys Ala
Met Tyr Ser Ser
Asn Cys His Asn
Asn Cys Asn His
Asn His Cys Asn
Asn His Asn Cys
Asn Asn Cys His
Asn Asn His Cys
Pro Cys His Met
Pro Cys Met His
Pro His Cys Met
Pro His Met Cys
Pro Met Cys His
Pro Met His Cys
Ser Cys Asp Tyr
Ser Cys Phe Met
Ser Cys Met Phe
Ser Cys Tyr Asp
Ser Asp Cys Tyr
Ser Asp Glu His
Ser Asp His Glu
Ser Asp Tyr Cys
Ser Glu Asp His
Ser Glu His Asp
Ser Phe Cys Met
Ser Phe Met Cys
Ser His Asp Glu
Ser His Glu Asp
Ser Met Cys Phe
Ser Met Phe Cys
Ser Met Ser Tyr
Ser Met Tyr Ser
Ser Ser Met Tyr
Ser Ser Tyr Met
Ser Tyr Cys Asp
Ser Tyr Asp Cys
Ser Tyr Met Ser
Ser Tyr Ser Met
Thr Cys Thr Tyr
Thr Cys Tyr Thr
Thr Asp Asp His
Thr Asp His Asp
Thr His Asp Asp
Thr Thr Cys Tyr
Thr Thr Tyr Cys
Thr Tyr Cys Thr
Thr Tyr Thr Cys
Val Cys Cys Tyr
Val Cys Tyr Cys
Val Tyr Cys Cys
Tyr Ala Cys Met
Tyr Ala Met Cys
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Tyr Cys Met Ala
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Tyr Met Cys Ala
Tyr Met Ser Ser
Tyr Ser Cys Asp
Tyr Ser Asp Cys
Tyr Ser Met Ser
Tyr Ser Ser Met
Tyr Thr Cys Thr
Tyr Thr Thr Cys
Tyr Val Cys Cys
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
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
(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
CHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]COPPER(I)
Olmutinib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EB - Epidermal growth factor receptor (egfr) tyrosine kinase inhibitors C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163952 - EGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
MLN0905
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
(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
[[(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
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
(2S,3S,3aR,9bR)-1-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)-6-oxo-7-[(E)-2-phenylethenyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
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
2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
2-[(1S,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
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
2-[(1R,3R,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
2-[(1R,3S,4aR,9aS)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
2-[(1S,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
2-[(1R,3R,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
2-[(1R,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide
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
(2R,3R,3aS,9bS)-1-(1,3-benzodioxol-5-ylmethyl)-3-(hydroxymethyl)-6-oxo-7-[(E)-2-phenylethenyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid
(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-(4-chloro-3,5-dihydroxyphenyl)-2-({2-[(3,7-diamino-1-hydroxyheptylidene)amino]-1,3-dihydroxy-3-methylbutylidene}amino)prop-2-enoic acid
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
(2z)-3-(4-chloro-3,5-dihydroxyphenyl)-2-{[(2s)-2-{[(3s)-3,7-diamino-1-hydroxyheptylidene]amino}-1,3-dihydroxy-3-methylbutylidene]amino}prop-2-enoic acid
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
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
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
(2s)-2-(2-carbamimidamido-n-hydroxyacetamido)-n-{[(2r,3s,4r,5s)-5-(2,4-dihydroxypyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl}pentanediimidic acid
(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"}