Exact Mass: 486.1607
Exact Mass Matches: 486.1607
Found 500 metabolites which its exact mass value is equals to given mass value 486.1607
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Rutaevin
Rutaevin is a steroid lactone. Rutaevin is a natural product found in Fagaropsis angolensis, Tetradium glabrifolium, and other organisms with data available.
(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
(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
Bufa-20,22-dienolide,1,3,5-[(1R)-ethylidynetris(oxy)]-11,14-dihydroxy-12,19-dioxo-, (1b,3b,5b,11a)- (9CI)
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
(R)-Vittatolic acid|3,8-dihydroxy-1-(4-hydroxy-2-oxo-heptyl)-11-oxo-6-pentyl-11H-dibenzo[b,e][1,4]dioxepine-7-carboxylic acid|Vittatolinsaeure|Vittatolsaeure
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.
Khadanin B
Kihadanin B is a natural product found in Phellodendron amurense and Trichilia elegans with data available.
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 Glu His Met
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Ala Met Tyr Cys
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Cys Glu His Val
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Cys Phe Met Ser
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Glu Asp His Ser
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Phe Cys Met Ser
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His Asp Ser Glu
His Asp Thr Asp
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Met Ala Cys Tyr
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Ser Cys Phe Met
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Ser Asp Glu His
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Ser Phe Cys Met
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Thr Cys Thr Tyr
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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)
[(2R,3R,4S,5R,6R)-4,6-diacetyloxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
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
(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
(E)-1-[2-hydroxy-3-(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
(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
(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-[(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
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
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.
3-(3-methyl-2-butenyl)-4-O-beta-D-glucopyranosyl-4,2-dihydroxychalcone
A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy groups at positions 4 and 2, a prenyl group at position 3 and a beta-D-glucopyranosyloxy group at position 4. Isolated from the stem barks of Maclura tinctoria, it exhibits antioxidant activity.
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
(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
(1s,2r,6r,7r,10r,11s,16s,19r,20r)-6-(furan-3-yl)-19,20-dihydroxy-7,17,17-trimethyl-5,13,21-trioxahexacyclo[17.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶.0¹¹,²⁰]docosane-4,14,18-trione
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
(1r,2r,4s,7r,8s,11r,12r,18r)-7-(2-hydroxy-5-oxo-2h-furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
(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
(1s,11s,12s)-4,5-bis(acetyloxy)-6-isopropyl-12-methyl-9,17-dioxo-16-oxatetracyclo[10.3.2.0¹,¹¹.0³,⁸]heptadeca-3,5,7-trien-7-yl acetate
(1r,2r,7s,10r,12r,13s,14r,16s,19r,20s)-19-(furan-2-yl)-12-hydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,11,17-trione
(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
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
(1s,4r,5s,8r,9r,11s,12s,13r,14r,16r,18s)-5,11-dihydroxy-9,16-dimethyl-10-oxo-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.1¹⁴,¹⁸.0¹,¹³.0⁴,¹².0⁵,⁹]henicosane-13-carbaldehyde
(5r,5as,6s,9ar)-6,9a-bis[(acetyloxy)methyl]-6-methyl-3-oxo-1h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-hydroxybenzoate
(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
[(2s,3r)-2-[4-(acetyloxy)-3-methoxyphenyl]-5-[3-(acetyloxy)propyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-yl]methyl acetate
[(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
12α-hydroxylimonin
{"Ingredient_id": "HBIN000709","Ingredient_name": "12\u03b1-hydroxylimonin","Alias": "12alpha-hydroxylimonin","Ingredient_formula": "C26H30O9","Ingredient_Smile": "CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CC(C5(C36C(O6)C(=O)OC5C7=COC=C7)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15870","TCMID_id": "10324","TCMSP_id": "NA","TCM_ID_id": "19313","PubChem_id": "NA","DrugBank_id": "NA"}
12alpha-hydroxylimonine
{"Ingredient_id": "HBIN000710","Ingredient_name": "12alpha-hydroxylimonine","Alias": "NA","Ingredient_formula": "C26H30O9","Ingredient_Smile": "CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CC(C5(C36C(O6)C(=O)OC5C7=COC=C7)C)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31209","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
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"}