Exact Mass: 518.212502
Exact Mass Matches: 518.212502
Found 500 metabolites which its exact mass value is equals to given mass value 518.212502
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(-)-Gossypol
Gossypol has been used in trials studying the treatment of Non-small Cell Lung Cancer. (-)-Gossypol or (R)-Gossypol, is the R-isomer of [Gossypol]. Gossypol is a natural product found in Malva pseudolavatera, Hibiscus syriacus, and other organisms with data available. Gossypol is an orally-active polyphenolic aldehyde with potential antineoplastic activity. Derived primarily from unrefined cottonseed oil, gossypol induces cell cycle arrest at the G0/G1 phase, thereby inhibiting DNA replication and inducing apoptosis. This agent also inhibits cell-signaling enzymes, resulting in inhibition of cell growth, and may act as a male contraceptive. (-)-Gossypol is found in fats and oils. (-)-Gossypol is a constituent of Gossypium hirsutum (cotton).(-)-gossypol has been shown to exhibit anti-tumor, anti-cancer and anti-proliferative functions (A7832, A7833, A7834). A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer. Gossypol, also known as gossypol, (+)-isomer or (-)-gossypol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, gossypol is considered to be an isoprenoid lipid molecule. Gossypol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gossypol can be found in cottonseed, okra, soy bean, and sunflower, which makes gossypol a potential biomarker for the consumption of these food products. Gossypol is a non-carcinogenic (not listed by IARC) potentially toxic compound. Among other things, it has been tested as a male oral contraceptive in China. In addition to its putative contraceptive properties, gossypol has also long been known to possess antimalarial properties. Other researchers are investigating the anticancer properties of gossypol . Gossypol may cause apoptosis via the regulation of Bax and Bcl-2 proteins. It is also an inhibitor of calcineurin and protein kinases C, and has been shown to bind calmodulin (L1239) (T3DB). C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor (-)-Gossypol is found in fats and oils. (-)-Gossypol is a constituent of Gossypium hirsutum (cotton) D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product C1907 - Drug, Natural Product Gossypol binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively. Gossypol binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively.
NPC
C28H30N4O6 (518.2165239999999)
NPC is a metabolite of irinotecan. Irinotecan is a drug used for the treatment of cancer. Irinotecan prevents DNA from unwinding by inhibition of topoisomerase 1. In chemical terms, it is a semisynthetic analogue of the natural alkaloid camptothecin. Its main use is in colon cancer, in particular, in combination with other chemotherapy agents. This includes the regimen FOLFIRI, which consists of infusional 5-fluorouracil, leucovorin, and irinotecan. Irinotecan received accelerated approval by the U.S. (Wikipedia) Irinotecan is subjected to be shunted between CYP3A4 mediated oxidative metabolism to form two inactive metabolites APC or NPC and tissue carboxylesterase mediated hydrolysis to form SN-38 which is eventually detoxified via glucuronidation by UGT1A1 to form SN-38G. (PMID: 12570720) The active metabolite of irinotecan (CPT-11), 7-ethyl-10-hydroxycamptothecin (SN-38), is either formed through enzymatic cleavage of CPT-11 by carboxyl esterases (CEs) or through cytochrome P-450 3A-mediated oxidation to 7-ethyl-10-[4-(1-piperidino)-1-amino] carbonyloxycamptothecin (NPC) and a subsequent conversion by CE. (PMID: 10999728)
Lurtotecan
C28H30N4O6 (518.2165239999999)
4beta,15-dihydro-8beta-5(5-acetoxytigloyl)-4-hydroxytigloyloxyzaluzanin C|4beta,15-dihydro-8beta-5<5-acetoxytigloyl>-4-hydroxytigloyloxyzaluzanin C
4beta,15-dihydro-3beta-acetoxy-8beta-5(5-hydroxytigloyl)-4-hydroxytigloyloxyzaluzanin C|4beta,15-dihydro-3beta-acetoxy-8beta-5<5-hydroxytigloyl>-4-hydroxytigloyloxyzaluzanin C
(3S,6R,7R,8R)-3-Hydroxy-8-<5-(5-acetoxy-4-hydroxytiglyloxy)-tiglyloxy>-helianga-1(10),5,11(13)-trien-6,12-olide|(3S,6R,7R,8R)-3-Hydroxy-8-[5-(5-acetoxy-4-hydroxytiglyloxy)-tiglyloxy]-helianga-1(10),5,11(13)-trien-6,12-olide
5,5-Diisopropyl-7,7-dimethyl-8,8-bi[2H-naphtho[1,8-bc]furan]-2,2,3,3,4,4-hexol
2,6-dimethoxy-4-(3-hydroxy-propen-1-yl)phenyl-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
2,6-dimethoxy-4-(prop-2-enyl)phenyl O-beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranoside
1,3,4,8-Tetrahydroxy-5,6-dihydro-5-(1-methylethenyl)-9,11-bis(3-methyl-2-butenyl)-10-methoxy-7H-benzo[c]xanthene-7-one
(-)-(3S)-1,9-bis(p-hydroxyphenyl)-3-hydroxynonan-5,6-dione 3-O-b-beta-glucoside|alpha-ericadione 3-O-beta-D-glucoside
myricanone 5-O-beta-D-glucopyranoside|myricanone-5-O-beta-D-glucopyranoside
(2S,3S)-2-(5-methoxy-3,4-methylenedioxybenzyl)-3-(3,4,5-trimethoxybenzyl)butane-1,4-diol diacetate
4-Acetoxy-3-(4-acetoxy-phenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-but-2-enyl)-8H-pyrano[3,2-g]chromen-2-on|4-acetoxy-3-(4-acetoxy-phenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-but-2-enyl)-8H-pyrano[3,2-g]chromen-2-one|Di-O-acetyl-lonchocarpinsaeure|Di-O-acetyllonchocarpic acid
(1R,3S,6R,7R,8R,10R)-3-Hydroxy-8-<5-(5-acetoxytiglyloxy)-4-hydroxytiglyloxy>-cadina-4,11(13)-dien-6,12-olide|(1R,3S,6R,7R,8R,10R)-3-Hydroxy-8-[5-(5-acetoxytiglyloxy)-4-hydroxytiglyloxy]-cadina-4,11(13)-dien-6,12-olide
3beta-hydroxy-8beta-4-hydroxy-5-(4-acetoxytigloyloxy)-tigloyloxycostunolide
Glu Asn Gln Glu
Gln Asn Glu Glu
Ala His Tyr Glu
C27H35ClN2O6_6-{7-Acetoxy-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-2(6H)-isoquinolinyl}norleucine
C27H35ClN2O6 (518.2183520000001)
Ala Asp Gln Trp
Ala Asp Trp Gln
Ala Glu His Tyr
Ala Glu Asn Trp
Ala Glu Trp Asn
Ala Glu Tyr His
Ala Gly Trp Trp
Ala His Glu Tyr
Ala Asn Glu Trp
Ala Asn Trp Glu
Ala Gln Asp Trp
Ala Gln Trp Asp
Ala Trp Asp Gln
Ala Trp Glu Asn
Ala Trp Gly Trp
Ala Trp Asn Glu
Ala Trp Gln Asp
Ala Trp Trp Gly
Ala Tyr Glu His
Ala Tyr His Glu
Cys Phe His Ile
Cys Phe His Leu
Cys Phe Ile His
Cys Phe Leu His
Cys His Phe Ile
Cys His Phe Leu
Cys His Ile Phe
Cys His Leu Phe
Cys His Pro Tyr
Cys His Tyr Pro
Cys Ile Phe His
Cys Ile His Phe
Cys Asn Pro Trp
Cys Asn Trp Pro
Cys Pro His Tyr
Cys Pro Asn Trp
Cys Pro Trp Asn
Cys Pro Tyr His
Cys Trp Asn Pro
Cys Trp Pro Asn
Cys Tyr His Pro
Cys Tyr Pro His
Asp Ala Gln Trp
Asp Ala Trp Gln
Asp Asp Asn Arg
Asp Asp Arg Asn
Asp Glu Gln Gln
Asp Phe His Thr
Asp Phe Thr His
Asp His Phe Thr
Asp His Thr Phe
Asp Asn Asp Arg
Asp Asn Arg Asp
Asp Gln Ala Trp
Asp Gln Glu Gln
Asp Gln Gln Glu
Asp Gln Trp Ala
Asp Arg Asp Asn
Asp Arg Asn Asp
Asp Thr Phe His
Asp Thr His Phe
Asp Trp Ala Gln
Asp Trp Gln Ala
Glu Ala His Tyr
Glu Ala Asn Trp
Glu Ala Trp Asn
Glu Ala Tyr His
Glu Asp Gln Gln
Glu Glu Glu Ile
Glu Glu Glu Leu
Glu Glu Ile Glu
Glu Glu Leu Glu
Glu Glu Asn Gln
Glu Glu Gln Asn
Glu Phe His Ser
Glu Phe Ser His
Glu Gly Gln Trp
Glu Gly Trp Gln
Glu His Ala Tyr
Glu His Phe Ser
Glu His His Pro
Glu His Pro His
Glu His Ser Phe
Glu His Tyr Ala
Glu Ile Glu Glu
Glu Leu Glu Glu
Glu Asn Ala Trp
Glu Asn Glu Gln
Glu Asn Trp Ala
Glu Pro His His
Glu Gln Asp Gln
Glu Gln Glu Asn
Glu Gln Gly Trp
Glu Gln Asn Glu
Glu Gln Gln Asp
Glu Gln Trp Gly
Glu Ser Phe His
Glu Ser His Phe
Glu Trp Ala Asn
Glu Trp Gly Gln
Glu Trp Asn Ala
Glu Trp Gln Gly
Glu Tyr Ala His
Glu Tyr His Ala
Phe Asp His Thr
Phe Asp Thr His
Phe Glu His Ser
Phe Glu Ser His
Phe His Cys Ile
Phe His Asp Thr
Phe His Glu Ser
Phe His Ser Glu
Phe His Thr Asp
Phe Ser Glu His
Phe Ser His Glu
Phe Thr Asp His
Phe Thr His Asp
Gly Ala Trp Trp
Gly Glu Gln Trp
Gly Glu Trp Gln
Gly Gln Glu Trp
Gly Gln Trp Glu
Gly Trp Ala Trp
Gly Trp Glu Gln
Gly Trp Gln Glu
Gly Trp Trp Ala
His Ala Glu Tyr
His Ala Tyr Glu
His Cys Pro Tyr
His Cys Tyr Pro
His Asp Phe Thr
His Asp Thr Phe
His Glu Ala Tyr
His Glu Phe Ser
His Glu His Pro
His Glu Pro His
His Glu Ser Phe
His Glu Tyr Ala
His Phe Asp Thr
His Phe Glu Ser
His Phe Ile Cys
His Phe Leu Cys
His Phe Ser Glu
His Phe Thr Asp
His His Glu Pro
His His Pro Glu
His Ile Cys Phe
His Ile Phe Cys
His Leu Cys Phe
His Leu Phe Cys
His Met Met Thr
His Met Thr Met
His Pro Cys Tyr
His Pro Glu His
His Pro His Glu
His Pro Tyr Cys
His Ser Glu Phe
His Ser Phe Glu
His Thr Asp Phe
His Thr Phe Asp
His Thr Met Met
His Tyr Ala Glu
His Tyr Cys Pro
His Tyr Glu Ala
His Tyr Pro Cys
Ile Cys Phe His
Ile Cys His Phe
Ile Glu Glu Glu
Ile Phe Cys His
Ile Phe His Cys
Ile His Cys Phe
Ile His Phe Cys
Leu Cys Phe His
Leu Cys His Phe
Leu Glu Glu Glu
Leu Phe Cys His
Leu Phe His Cys
Leu His Cys Phe
Leu His Phe Cys
Met His Met Thr
Met His Thr Met
Met Met His Thr
Met Met Thr His
Met Thr His Met
Met Thr Met His
Asn Ala Glu Trp
Asn Ala Trp Glu
Asn Cys Pro Trp
Asn Cys Trp Pro
Asn Asp Asp Arg
Asn Asp Arg Asp
Asn Glu Ala Trp
Asn Glu Glu Gln
Asn Glu Gln Glu
Asn Glu Trp Ala
Asn Pro Cys Trp
Asn Pro Trp Cys
Asn Gln Glu Glu
Asn Arg Asp Asp
Asn Trp Ala Glu
Asn Trp Cys Pro
Asn Trp Glu Ala
Asn Trp Pro Cys
Pro Cys His Tyr
Pro Cys Asn Trp
Pro Cys Trp Asn
Pro Cys Tyr His
Pro Glu His His
Pro His Cys Tyr
Pro His Glu His
Pro His His Glu
Pro His Tyr Cys
Pro Asn Cys Trp
Pro Asn Trp Cys
Pro Trp Cys Asn
Pro Trp Asn Cys
Pro Tyr Cys His
Pro Tyr His Cys
Gln Ala Asp Trp
Gln Ala Trp Asp
Gln Asp Ala Trp
Gln Asp Glu Gln
Gln Asp Gln Glu
Gln Asp Trp Ala
Gln Glu Asp Gln
Gln Glu Glu Asn
Gln Glu Gly Trp
Gln Glu Asn Glu
Gln Glu Gln Asp
Gln Glu Trp Gly
Gln Gly Glu Trp
Gln Gly Trp Glu
Gln Gln Asp Glu
Gln Gln Glu Asp
Gln Trp Ala Asp
Gln Trp Asp Ala
Gln Trp Glu Gly
Gln Trp Gly Glu
Arg Asp Asp Asn
Arg Asp Asn Asp
Arg Asn Asp Asp
Ser Glu Phe His
Ser Glu His Phe
Ser Phe Glu His
Ser Phe His Glu
Ser His Glu Phe
Ser His Phe Glu
Ser Ser Tyr Tyr
Ser Tyr Ser Tyr
Ser Tyr Tyr Ser
Thr Asp Phe His
Thr Asp His Phe
Thr Phe Asp His
Thr Phe His Asp
Thr His Asp Phe
Thr His Phe Asp
Thr His Met Met
Thr Met His Met
Thr Met Met His
Trp Ala Asp Gln
Trp Ala Glu Asn
Trp Ala Gly Trp
Trp Ala Asn Glu
Trp Ala Gln Asp
Trp Ala Trp Gly
Trp Cys Asn Pro
Trp Cys Pro Asn
Trp Asp Ala Gln
Trp Asp Gln Ala
Trp Glu Ala Asn
Trp Glu Gly Gln
Trp Glu Asn Ala
Trp Glu Gln Gly
Trp Gly Ala Trp
Trp Gly Glu Gln
Trp Gly Gln Glu
Trp Gly Trp Ala
Trp Asn Ala Glu
Trp Asn Cys Pro
Trp Asn Glu Ala
Trp Asn Pro Cys
Trp Pro Cys Asn
Trp Pro Asn Cys
Trp Gln Ala Asp
Trp Gln Asp Ala
Trp Gln Glu Gly
Trp Gln Gly Glu
Trp Trp Ala Gly
Trp Trp Gly Ala
Tyr Ala Glu His
Tyr Ala His Glu
Tyr Cys His Pro
Tyr Cys Pro His
Tyr Glu Ala His
Tyr Glu His Ala
Tyr His Ala Glu
Tyr His Cys Pro
Tyr His Glu Ala
Tyr His Pro Cys
Tyr Pro Cys His
Tyr Pro His Cys
Tyr Ser Ser Tyr
Tyr Ser Tyr Ser
Tyr Tyr Ser Ser
(5Z,7E)-A-nor-(1,2)-(9,10)-diseco-5,7,10(19)-cholestatriene-1,3,25-triol
26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16,17,23,23,24,24-hexadehydrovitamin D3
Lurtotecan
C28H30N4O6 (518.2165239999999)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D000970 - Antineoplastic Agents
2-[(2-ethoxy-5(4-ethylpiperazine-1-sulphonyl)phenyl)]-7-ethoxycarbonyl-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one
4,4-bis(5-hydroxy-3-Methyl-1-phenyl-1H-pyrazol-4-yl)-3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one
Polifeprosan
D001697 - Biomedical and Dental Materials > D001672 - Biocompatible Materials
(-)-3-OXO-6-BETA-TRITYLOXYMETHYL-7-ALPHA-BENZOYL-OXY-2-OXABICYCLO[3.3.0!OCTANE
Quinidine galacturonate
D000074385 - Food Ingredients > D005503 - Food Additives > D010368 - Pectins
7-Ethyl-10-(4-amino-1-piperidino)carbonyloxycamptothecin
C28H30N4O6 (518.2165239999999)
AT-101
Constituent of Gossypium hirsutum (cotton). (-)-Gossypol is found in fats and oils.
Glu-Asp-Gln-Gln
A tetrapeptide composed of L-glutamic acid, L-aspartic acid and two L-glutamine units joined in sequence by peptide linkages.
4-[(4S,5R)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
4-[(4R,5S)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4S,5R)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4R,5S)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4R,5R)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4R,5R)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4S,5S)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4S,5S)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
2-[(3R,6aR,8S,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
C30H31FN2O5 (518.2216887999999)
2-(3,4-Dimethoxyphenyl)-9-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]purine-6-carboxamide
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
10,15,28-trihydroxy-10,16-dimethyl-2,5,13,18,25-pentaoxaheptacyclo[22.3.1.1¹¹,¹⁵.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]triaconta-20,23-diene-4,19-dione
3-hydroxy-16,17-dimethoxy-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1²,⁶]nonadeca-1(17),2(19),3,5,14(18),15-hexaen-9-one
1-{2,6-dihydroxy-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}-3-methylbutan-1-one
5,7,14-trihydroxy-13-methoxy-4,6,15-tris(3-methylbut-2-en-1-yl)-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one
n-[2-(5-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-1h-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enimidic acid
methyl 2-[6-(furan-3-yl)-15,16-dihydroxy-7,11,13,13-tetramethyl-4,14-dioxo-5,17-dioxapentacyclo[13.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶]octadecan-12-yl]-2-hydroxyacetate
(3ar,4r,6r,6ar,8s,10ar)-8-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,6ah,7h,8h-naphtho[4a,4-b]furan-4-yl (2e)-2-({[(2e)-2-[(acetyloxy)methyl]but-2-enoyl]oxy}methyl)-4-hydroxybut-2-enoate
(2e)-3-{[(3ar,4r,9r,11as)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-(2-hydroxyethylidene)-3-oxopropyl (2e)-4-hydroxy-2-methylbut-2-enoate
(2e)-n-[2-(5-{[(1r,2s)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-1h-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enimidic acid
(2s,3s)-4-(acetyloxy)-3-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]butyl acetate
4-hydroxy-9-{4-hydroxy-3,5,8-trimethyl-2,7-dioxo-4h,4ah,9h,9ah-azuleno[6,5-b]furan-9-yl}-3,5,8-trimethyl-4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
methyl 2-[(1r,2r,4s,7r,8s,11r,12r,13r,16r)-7-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,15,15-pentamethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-13-yl]acetate
3,3a,7a-tribenzyl-3-hydroxy-7-phenyl-dihydrofuro[3,2-b]pyran-2,5-dione
methyl (4ar,7as)-7-methylidene-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
4,7'-dihydroxy-3,5',6,15'-tetramethylidene-4,5,6a,7,9a,9b-hexahydro-3ah-3'-oxaspiro[azuleno[4,5-b]furan-9,12'-tetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadecan]-13'(16')-ene-2,4',8,14'-tetrone
(2s,3s)-2-(5-methoxy-3,4-methylenedioxy-benzyl)-3-(3,4,5-trimethoxybenzyl)butane-1,4-diol diacetate
{"Ingredient_id": "HBIN006698","Ingredient_name": "(2s,3s)-2-(5-methoxy-3,4-methylenedioxy-benzyl)-3-(3,4,5-trimethoxybenzyl)butane-1,4-diol diacetate","Alias": "NA","Ingredient_formula": "C27H34O10","Ingredient_Smile": "CC(=O)OCC(CC1=CC2=C(C(=C1)OC)OCO2)C(CC3=CC(=C(C(=C3)OC)OC)OC)COC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14004","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,8-dihydroxy-6-methoxy-2-isopropyl-1,4-naphthoquinone
{"Ingredient_id": "HBIN007830","Ingredient_name": "3,8-dihydroxy-6-methoxy-2-isopropyl-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C30H30O8","Ingredient_Smile": "CC1=C(C(=O)C2=CC(=C(C(=C2C1=O)C(C)C)OC)O)C3=C(C(=O)C4=C(C(=C(C=C4C3=O)O)OC)C(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33552","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}