Exact Mass: 486.1863
Exact Mass Matches: 486.1863
Found 500 metabolites which its exact mass value is equals to given mass value 486.1863
,
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.
isonocardicin C
A monobactam that is produced by Nocardia uniformis subsp. tsuyamanensis.
Glucosylgalactosyl hydroxylysine
Glucosylgalactosyl hydroxylysine is a Glycoside of hydroxylysine. Hydroxylation of lysine is an important post-translational modification of collagen, (PMID 10928217) a reaction catalyzed by the enzyme Lysyl hydroxylase (EC 1.14.11.4) forming hydroxylysine in collagens and other proteins with collagen-like amino acid sequences, by the hydroxylation of lysine residues in X-lys-gly sequences. The hydroxylysine residues formed in the lysyl hydroxylase reaction have 2 important functions: first, their hydroxy groups serve as sites of attachment for carbohydrate units, either the monosaccharide galactose or the disaccharide glucosylgalactose; and second, they are essential for the stability of the intermolecular collagen crosslinks. (OMIM 153454). Hydroxylysine-deficient skin collagen is manifested in Ehlers-Danlos syndrome, type VIA, A heritable disorder of connective tissue (PMID 5016372). Glucosylgalactosyl hydroxylysine is a Glycoside of hydroxylysine. Hydroxylation of lysine is an important post-translational modification of collagen, (PMID 10928217) a reaction catalyzed by the enzyme Lysyl hydroxylase (EC 1.14.11.4) forming hydroxylysine in collagens and other proteins with collagen-like amino acid sequences, by the hydroxylation of lysine residues in X-lys-gly sequences.
2-O-alpha-D-Glucopyranosyl-O-beta-D-galactopyranosylhydroxylysine
2-[[5-[3-(Dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione
N-(4-Cyanophenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetamide
MRS 1754 is a selective antagonist radioligand for A2B adenosine receptor with very low affinity for A1 and A3 receptors of both humans and rats[1].
Catharanthine tartrate
Artelastochromene
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)
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.
(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.
Catharanthine tartrate
Ala Cys Phe Phe
Ala Glu His Met
Ala Glu Met His
Ala Phe Cys Phe
Ala Phe Phe Cys
Ala His Glu Met
Ala His Met Glu
Ala Met Glu His
Ala Met His Glu
Cys Ala Phe Phe
Cys Asp His Ile
Cys Asp His Leu
Cys Asp Ile His
Cys Asp Leu His
Cys Glu His Val
Cys Glu Val His
Cys Phe Ala Phe
Cys Phe Phe Ala
Cys His Asp Ile
Cys His Asp Leu
Cys His Glu Val
Cys His Ile Asp
Cys His Leu Asp
Cys His Met Pro
Cys His Asn Asn
Cys His Pro Met
Cys His Val Glu
Cys Ile Asp His
Cys Ile His Asp
Cys Leu Asp His
Cys Leu His Asp
Cys Met His Pro
Cys Met Pro His
Cys Asn His Asn
Cys Asn Asn His
Cys Pro His Met
Cys Pro Met His
Cys Thr Thr Tyr
Cys Thr Tyr Thr
Cys Val Glu His
Cys Val His Glu
Cys Tyr Thr Thr
Asp Cys His Ile
Asp Cys His Leu
Asp Cys Ile His
Asp Cys Leu His
Asp Asp His Thr
Asp Asp Thr His
Asp Glu His Ser
Asp Glu Ser His
Asp His Cys Ile
Asp His Cys Leu
Asp His Asp Thr
Asp His Glu Ser
Asp His Ile Cys
Asp His Leu Cys
Asp His Ser Glu
Asp His Thr Asp
Asp Ile Cys His
Asp Ile His Cys
Asp Leu Cys His
Asp Leu His Cys
Asp Pro Gln Gln
Asp Gln Pro Gln
Asp Gln Gln Pro
Asp Ser Glu His
Asp Ser His Glu
Asp Thr Asp His
Asp Thr His Asp
Glu Ala His Met
Glu Ala Met His
Glu Cys His Val
Glu Cys Val His
Glu Asp His Ser
Glu Asp Ser His
Glu His Ala Met
Glu His Cys Val
Glu His Asp Ser
Glu His Met Ala
Glu His Ser Asp
Glu His Thr Thr
Glu His Val Cys
Glu Met Ala His
Glu Met His Ala
Glu Asn Pro Gln
Glu Asn Gln Pro
Glu Pro Asn Gln
Glu Pro Gln Asn
Glu Gln Asn Pro
Glu Gln Pro Asn
Glu Ser Asp His
Glu Ser His Asp
Glu Thr His Thr
Glu Thr Thr His
Glu Val Cys His
Glu Val His Cys
Phe Ala Cys Phe
Phe Ala Phe Cys
Phe Cys Ala Phe
Phe Cys Phe Ala
Phe Phe Ala Cys
Phe Phe Cys Ala
His Ala Glu Met
His Ala Met Glu
His Cys Asp Ile
His Cys Asp Leu
His Cys Glu Val
His Cys Ile Asp
His Cys Leu Asp
His Cys Met Pro
His Cys Asn Asn
His Cys Pro Met
His Cys Val Glu
His Asp Cys Ile
His Asp Cys Leu
His Asp Asp Thr
His Asp Glu Ser
His Asp Ile Cys
His Asp Leu Cys
His Asp Ser Glu
His Asp Thr Asp
His Glu Ala Met
His Glu Cys Val
His Glu Asp Ser
His Glu Met Ala
His Glu Ser Asp
His Glu Thr Thr
His Glu Val Cys
His Ile Cys Asp
His Ile Asp Cys
His Leu Cys Asp
His Leu Asp Cys
His Met Ala Glu
His Met Cys Pro
His Met Glu Ala
His Met Pro Cys
His Asn Asn Cys
His Pro Cys Met
His Pro Met Cys
His Ser Asp Glu
His Ser Glu Asp
His Thr Asp Asp
His Thr Glu Thr
His Thr Thr Glu
His Val Cys Glu
His Val Glu Cys
Ile Cys Asp His
Ile Cys His Asp
Ile Asp Cys His
Ile Asp His Cys
Ile His Cys Asp
Ile His Asp Cys
Leu Cys Asp His
Leu Cys His Asp
Leu Asp Cys His
Leu Asp His Cys
Leu His Cys Asp
Leu His Asp Cys
Met Ala Glu His
Met Ala His Glu
Met Cys His Pro
Met Cys Pro His
Met Glu Ala His
Met Glu His Ala
Met His Ala Glu
Met His Cys Pro
Met His Glu Ala
Met His Pro Cys
Met Pro Cys His
Met Pro His Cys
Met Ser Ser Tyr
Met Ser Tyr Ser
Met Tyr Ser Ser
Asn Cys His Asn
Asn Cys Asn His
Asn Glu Pro Gln
Asn Glu Gln Pro
Asn His Cys Asn
Asn His Asn Cys
Asn Asn Cys His
Asn Asn His Cys
Asn Pro Glu Gln
Asn Pro Gln Glu
Asn Gln Glu Pro
Asn Gln Pro Glu
Pro Cys His Met
Pro Cys Met His
Pro Asp Gln Gln
Pro Glu Asn Gln
Pro Glu Gln Asn
Pro His Cys Met
Pro His Met Cys
Pro Met Cys His
Pro Met His Cys
Pro Asn Glu Gln
Pro Asn Gln Glu
Pro Gln Asp Gln
Pro Gln Glu Asn
Pro Gln Asn Glu
Pro Gln Gln Asp
Gln Asp Pro Gln
Gln Asp Gln Pro
Gln Glu Asn Pro
Gln Glu Pro Asn
Gln Asn Glu Pro
Gln Asn Pro Glu
Gln Pro Asp Gln
Gln Pro Glu Asn
Gln Pro Asn Glu
Gln Pro Gln Asp
Gln Gln Asp Pro
Gln Gln Pro Asp
Ser Asp Glu His
Ser Asp His Glu
Ser Glu Asp His
Ser Glu His Asp
Ser His Asp Glu
Ser His Glu Asp
Ser Met Ser Tyr
Ser Met Tyr Ser
Ser Ser Met Tyr
Ser Ser Tyr Met
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 Glu His Thr
Thr Glu Thr His
Thr His Asp Asp
Thr His Glu Thr
Thr His Thr Glu
Thr Thr Cys Tyr
Thr Thr Glu His
Thr Thr His Glu
Thr Thr Tyr Cys
Thr Tyr Cys Thr
Thr Tyr Thr Cys
Val Cys Glu His
Val Cys His Glu
Val Glu Cys His
Val Glu His Cys
Val His Cys Glu
Val His Glu Cys
Tyr Cys Thr Thr
Tyr Met Ser Ser
Tyr Ser Met Ser
Tyr Ser Ser Met
Tyr Thr Cys Thr
Tyr Thr Thr Cys
[(2R,3R,4S,5R,6R)-4,6-diacetyloxy-3,5-bis(phenylmethoxy)oxan-2-yl]methyl acetate
[(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
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
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
N-(2-Aminoethyl)-N~2~-{(1s)-1-[4-(Aminosulfonyl)biphenyl-4-Yl]-2,2,2-Trifluoroethyl}-L-Leucinamide
(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
3-deamino-3-hydroxykanamycin X
A kanamycin that is kanamycin X in which the 3-amino group has been replaced by a hydroxy group.
(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)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
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
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]-1-phenylmethanesulfonamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]-1-phenylmethanesulfonamide
N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-4-fluoro-N-methylbenzenesulfonamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(1R,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1R,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
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
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(3-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-1-phenylmethanesulfonamide
N-[(1R,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aS,9aR)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3S,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
N-[(1S,3R,4aR,9aS)-3-[2-[(2,5-difluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide
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
(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
(1R,9S,10S,11S)-12-N-(2,5-difluorophenyl)-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-11-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide
(1S,9R,10R,11R)-12-N-(2,5-difluorophenyl)-10-(hydroxymethyl)-6-oxo-5-[(E)-prop-1-enyl]-11-N-propyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11,12-dicarboxamide
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.
MRS 1754
MRS 1754 is a selective antagonist radioligand for A2B adenosine receptor with very low affinity for A1 and A3 receptors of both humans and rats[1].
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.
5-[(alpha-D-glucopyranosyl-(1->2)-beta-D-galactopyranosyl)oxy]-L-lysine
An O-glycosyl amino acid that is L-lysine in which one of the methylene hydrogens at position 5 has been replaced by an (alpha-D-glucopyranosyl-(1->2)-beta-D-galactopyranosyl)oxy group.
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.
Catharanthine (Tartrate)
Catharanthine Tartrate is an alkaloid isolated from Catharanthus roseus, inhibits voltage-operated L-type Ca2+ channel, with anti-cancer and blood pressure-lowering activity[1]. Catharanthine Tartrate is an alkaloid isolated from Catharanthus roseus, inhibits voltage-operated L-type Ca2+ channel, with anti-cancer and blood pressure-lowering activity[1].
2-({15-[(1-carboxy-2-methylpropyl)-c-hydroxycarbonimidoyl]-1-hydroxypentadeca-2,4,6,8,10,12,14-heptaen-1-ylidene}amino)butanedioic acid
3-(4-chloro-3,5-dihydroxyphenyl)-2-({2-[(3,7-diamino-1-hydroxyheptylidene)amino]-1,3-dihydroxy-3-methylbutylidene}amino)prop-2-enoic 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
(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
(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
2,18-dimethyl (1s,9s,18s)-18-hydroxy-4,5-dimethoxy-21-oxo-2,12-diazapentacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸]henicosa-3(8),4,6,16(20)-tetraene-2,18-dicarboxylate
(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
2,18-dimethyl (1s,9r,16r,17r,18r,21r)-17,18-dihydroxy-4,5-dimethoxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3(8),4,6,14-tetraene-2,18-dicarboxylate
(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
(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)-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"}
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"}