Exact Mass: 518.223735
Exact Mass Matches: 518.223735
Found 257 metabolites which its exact mass value is equals to given mass value 518.223735
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
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)
3-[2-[(2R)-2-Phenyl-4-[(4-pyridin-4-ylphenyl)methyl]morpholin-2-yl]ethyl]-1H-quinazoline-2,4-dione
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
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
(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
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 Gly Trp Trp
Ala Trp Gly Trp
Ala Trp Trp Gly
Cys Phe His Ile
Cys Phe His Leu
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Cys Phe Leu His
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Gly Ala Trp Trp
Gly Trp Ala Trp
Gly Trp Trp Ala
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His Glu His Pro
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Trp Trp Gly Ala
(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
Polifeprosan
D001697 - Biomedical and Dental Materials > D001672 - Biocompatible Materials
4-[(4-aminophenyl)methyl]aniline,2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Quinidine galacturonate
D000074385 - Food Ingredients > D005503 - Food Additives > D010368 - Pectins
7-Ethyl-10-(4-amino-1-piperidino)carbonyloxycamptothecin
C28H30N4O6 (518.2165239999999)
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((R)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
A natural product found in Coscinoderma species.
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
A natural product found in Coscinoderma species.
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
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)
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)
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)
[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
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
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
(2s,3s)-4-(acetyloxy)-3-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]butyl acetate
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
(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"}