Exact Mass: 518.2151864
Exact Mass Matches: 518.2151864
Found 307 metabolites which its exact mass value is equals to given mass value 518.2151864
,
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)
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
(-)-(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
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 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 Asn Glu
Ala Trp Gln Asp
Ala Tyr Glu His
Ala Tyr His Glu
Asp Ala Gln Trp
Asp Ala Trp Gln
Asp Asp Asn Arg
Asp Asp Arg Asn
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 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 Glu Glu Ile
Glu Glu Glu Leu
Glu Glu Ile Glu
Glu Glu Leu Glu
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 Trp Ala
Glu Pro His His
Glu Gln Gly Trp
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 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 Glu Gln Trp
Gly Glu Trp Gln
Gly Gln Glu Trp
Gly Gln Trp Glu
Gly Trp Glu Gln
Gly Trp Gln Glu
His Ala Glu Tyr
His Ala Tyr Glu
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 Ser Glu
His Phe Thr Asp
His His Glu Pro
His His Pro Glu
His Pro Glu His
His Pro His Glu
His Ser Glu Phe
His Ser Phe Glu
His Thr Asp Phe
His Thr Phe Asp
His Tyr Ala Glu
His Tyr Glu Ala
Ile Glu Glu Glu
Leu Glu Glu Glu
Asn Ala Glu Trp
Asn Ala Trp Glu
Asn Asp Asp Arg
Asn Asp Arg Asp
Asn Glu Ala Trp
Asn Glu Trp Ala
Asn Arg Asp Asp
Asn Trp Ala Glu
Asn Trp Glu Ala
Pro Glu His His
Pro His Glu His
Pro His His Glu
Gln Ala Asp Trp
Gln Ala Trp Asp
Gln Asp Ala Trp
Gln Asp Trp Ala
Gln Glu Gly Trp
Gln Glu Trp Gly
Gln Gly Glu Trp
Gln Gly Trp Glu
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
Thr Asp Phe His
Thr Asp His Phe
Thr Phe Asp His
Thr Phe His Asp
Thr His Asp Phe
Thr His Phe Asp
Trp Ala Asp Gln
Trp Ala Glu Asn
Trp Ala Asn Glu
Trp Ala Gln Asp
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 Glu Gln
Trp Gly Gln Glu
Trp Asn Ala Glu
Trp Asn Glu Ala
Trp Gln Ala Asp
Trp Gln Asp Ala
Trp Gln Glu Gly
Trp Gln Gly Glu
Tyr Ala Glu His
Tyr Ala His Glu
Tyr Glu Ala His
Tyr Glu His Ala
Tyr His Ala Glu
Tyr His Glu Ala
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
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
7-Ethyl-10-(4-amino-1-piperidino)carbonyloxycamptothecin
C28H30N4O6 (518.2165239999999)
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)
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
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
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
(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"}