Exact Mass: 622.2461

Exact Mass Matches: 622.2461

Found 40 metabolites which its exact mass value is equals to given mass value 622.2461, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Campto

[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;hydrochloride

C33H38N4O6.HCl (622.2558)


Irinotecan hydrochloride (anhydrous) is a hydrochloride obtained by combining irinotecan with one molar equivalent of hydrochloric acid. Used (in the form of its trihydrate) in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. It has a role as an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an antineoplastic agent, an apoptosis inducer and a prodrug. It contains an irinotecan(1+). Irinotecan Hydrochloride is the hydrochloride salt of a semisynthetic derivative of camptothecin, a cytotoxic, quinoline-based alkaloid extracted from the Asian tree Camptotheca acuminata. Irinotecan, a prodrug, is converted to a biologically active metabolite 7-ethyl-10-hydroxy-camptothecin (SN-38) by a carboxylesterase-converting enzyme. One thousand-fold more potent than its parent compound irinotecan, SN-38 inhibits topoisomerase I activity by stabilizing the cleavable complex between topoisomerase I and DNA, resulting in DNA breaks that inhibit DNA replication and trigger apoptotic cell death. Because ongoing DNA synthesis is necessary for irinotecan to exert its cytotoxic effects, it is classified as an S-phase-specific agent. A semisynthetic camptothecin derivative that inhibits DNA TOPOISOMERASE I to prevent nucleic acid synthesis during S PHASE. It is used as an antineoplastic agent for the treatment of COLORECTAL NEOPLASMS and PANCREATIC NEOPLASMS. See also: Irinotecan (has active moiety). D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors Irinotecan hydrochloride ((+)-Irinotecan hydrochloride) is a topoisomerase I inhibitor mainly used to treat colon cancer and rectal cancer[1].

   

Kadangustin C

Kadangustin C

C34H38O11 (622.2414)


   

4-deoxykanokoside C

4-deoxykanokoside C

C27H42O16 (622.2473)


   

[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C34H38O11 (622.2414)


   
   

((aR,5S,6S,7S,8R)-5,6,7,8-tetrahydro-1,6,12-trihydroxy-2,3,10,11-tetramethoxy-6,7-dimethyl-8-[((Z)-2-methylbut-2-enoyl)oxy]dibenzo[a,c]cycloocten-5-yl) benzenecarboxylate|renchangianin B

((aR,5S,6S,7S,8R)-5,6,7,8-tetrahydro-1,6,12-trihydroxy-2,3,10,11-tetramethoxy-6,7-dimethyl-8-[((Z)-2-methylbut-2-enoyl)oxy]dibenzo[a,c]cycloocten-5-yl) benzenecarboxylate|renchangianin B

C34H38O11 (622.2414)


   

Campto

[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;hydrochloride

C33H39ClN4O6 (622.2558)


Irinotecan hydrochloride (anhydrous) is a hydrochloride obtained by combining irinotecan with one molar equivalent of hydrochloric acid. Used (in the form of its trihydrate) in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. It has a role as an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an antineoplastic agent, an apoptosis inducer and a prodrug. It contains an irinotecan(1+). Irinotecan Hydrochloride is the hydrochloride salt of a semisynthetic derivative of camptothecin, a cytotoxic, quinoline-based alkaloid extracted from the Asian tree Camptotheca acuminata. Irinotecan, a prodrug, is converted to a biologically active metabolite 7-ethyl-10-hydroxy-camptothecin (SN-38) by a carboxylesterase-converting enzyme. One thousand-fold more potent than its parent compound irinotecan, SN-38 inhibits topoisomerase I activity by stabilizing the cleavable complex between topoisomerase I and DNA, resulting in DNA breaks that inhibit DNA replication and trigger apoptotic cell death. Because ongoing DNA synthesis is necessary for irinotecan to exert its cytotoxic effects, it is classified as an S-phase-specific agent. A semisynthetic camptothecin derivative that inhibits DNA TOPOISOMERASE I to prevent nucleic acid synthesis during S PHASE. It is used as an antineoplastic agent for the treatment of COLORECTAL NEOPLASMS and PANCREATIC NEOPLASMS. See also: Irinotecan (has active moiety). D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors Irinotecan hydrochloride ((+)-Irinotecan hydrochloride) is a topoisomerase I inhibitor mainly used to treat colon cancer and rectal cancer[1].

   

[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

NCGC00380361-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

C34H38O11 (622.2414)


   

[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]

NCGC00380361-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based: Match]

C34H38O11 (622.2414)


   

[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848738]

NCGC00380361-01![(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate [IIN-based on: CCMSLIB00000848738]

C34H38O11 (622.2414)


   

Phe Met Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C32H38N4O7S (622.2461)


   

Phe Tyr Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C32H38N4O7S (622.2461)


   

Phe Tyr Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C32H38N4O7S (622.2461)


   

Met Phe Tyr Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C32H38N4O7S (622.2461)


   

Met Tyr Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C32H38N4O7S (622.2461)


   

Met Tyr Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C32H38N4O7S (622.2461)


   

Tyr Phe Met Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanoic acid

C32H38N4O7S (622.2461)


   

Tyr Phe Tyr Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanoic acid

C32H38N4O7S (622.2461)


   

Tyr Met Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C32H38N4O7S (622.2461)


   

Tyr Met Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C32H38N4O7S (622.2461)


   

Tyr Tyr Phe Met

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-(methylsulfanyl)butanoic acid

C32H38N4O7S (622.2461)


   

Tyr Tyr Met Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido]-3-phenylpropanoic acid

C32H38N4O7S (622.2461)


   

1,7-Bis(4-hydroxyphenyl)-5-oxo-3-heptanyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-?-D-glucopyranoside

1,7-Bis(4-hydroxyphenyl)-5-oxo-3-heptanyl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-?-D-glucopyranoside

C34H38O11 (622.2414)


   

MeOSuc-Ala-Ala-Pro-Met-pNA

MeOSuc-Ala-Ala-Pro-Met-pNA

C27H38N6O9S (622.2421)


   

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]imidazo[1,2-a]pyridine

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]imidazo[1,2-a]pyridine

C47H30N2 (622.2409)


   

Fmoc-n-me-arg(mtr)-oh

Fmoc-n-me-arg(mtr)-oh

C32H38N4O7S (622.2461)


   

3-[(21S,22S)-12-(dihydroxymethyl)-11,16-bis(ethenyl)-4-hydroxy-3-methoxycarbonyl-17,21,26-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

3-[(21S,22S)-12-(dihydroxymethyl)-11,16-bis(ethenyl)-4-hydroxy-3-methoxycarbonyl-17,21,26-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,3,5,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

C35H34N4O7 (622.2427)


   

(8r,9s,10s,11s)-11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl (2e)-3-phenylprop-2-enoate

(8r,9s,10s,11s)-11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl (2e)-3-phenylprop-2-enoate

C34H38O11 (622.2414)


   

4'-deoxykanokoside c

NA

C27H42O16 (622.2473)


{"Ingredient_id": "HBIN010324","Ingredient_name": "4'-deoxykanokoside c","Alias": "NA","Ingredient_formula": "C27H42O16","Ingredient_Smile": "CC(C)CC(=O)OC1C2C(C3C(C2(CO)O)O3)C(=CO1)COC4C(C(CC(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O","Ingredient_weight": "622.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5185","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101219289","DrugBank_id": "NA"}

   

11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl 3-phenylprop-2-enoate

11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl 3-phenylprop-2-enoate

C34H38O11 (622.2414)


   

3,9,16-trihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-[(2-methylbut-2-enoyl)oxy]tricyclo[10.4.0.0²,⁷]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yl benzoate

3,9,16-trihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-[(2-methylbut-2-enoyl)oxy]tricyclo[10.4.0.0²,⁷]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yl benzoate

C34H38O11 (622.2414)


   

(8s,9s,10s,11r)-11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl (2e)-3-phenylprop-2-enoate

(8s,9s,10s,11r)-11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl (2e)-3-phenylprop-2-enoate

C34H38O11 (622.2414)


   

(1s,6s,7r)-6,7-bis[(ethoxycarbonyl)oxy]-7-hydroxy-1-methyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate

(1s,6s,7r)-6,7-bis[(ethoxycarbonyl)oxy]-7-hydroxy-1-methyl-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4ah,5h,6h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate

C27H42O16 (622.2473)


   

(1s,2s,4s,5s,6s,7s)-10-({[(2s,3s,4s,6r)-3,4-dihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-5-hydroxy-5-(hydroxymethyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl (2s)-2-methylbutanoate

(1s,2s,4s,5s,6s,7s)-10-({[(2s,3s,4s,6r)-3,4-dihydroxy-6-({[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-5-hydroxy-5-(hydroxymethyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl (2s)-2-methylbutanoate

C27H42O16 (622.2473)


   

(1s,2s,4s,5s,6s,7s)-10-({[(2r,3r,4s,6s)-3,4-dihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-5-hydroxy-5-(hydroxymethyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate

(1s,2s,4s,5s,6s,7s)-10-({[(2r,3r,4s,6s)-3,4-dihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-5-hydroxy-5-(hydroxymethyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate

C27H42O16 (622.2473)


   

(8s,9s,10s,11r)-3,9,16-trihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-{[(2z)-2-methylbut-2-enoyl]oxy}tricyclo[10.4.0.0²,⁷]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yl benzoate

(8s,9s,10s,11r)-3,9,16-trihydroxy-4,5,14,15-tetramethoxy-9,10-dimethyl-11-{[(2z)-2-methylbut-2-enoyl]oxy}tricyclo[10.4.0.0²,⁷]hexadeca-1(16),2(7),3,5,12,14-hexaen-8-yl benzoate

C34H38O11 (622.2414)


   

10-({[3,4-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-5-hydroxy-5-(hydroxymethyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate

10-({[3,4-dihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-5-hydroxy-5-(hydroxymethyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate

C27H42O16 (622.2473)


   

(8s,9r,10s,11r)-11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl (2e)-3-phenylprop-2-enoate

(8s,9r,10s,11r)-11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl (2e)-3-phenylprop-2-enoate

C34H38O11 (622.2414)


   

(1s,5s,6s,7s)-10-({[(2r,3r,4s,6s)-3,4-dihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-5-hydroxy-5-(hydroxymethyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate

(1s,5s,6s,7s)-10-({[(2r,3r,4s,6s)-3,4-dihydroxy-6-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)-5-hydroxy-5-(hydroxymethyl)-3,8-dioxatricyclo[4.4.0.0²,⁴]dec-9-en-7-yl 3-methylbutanoate

C27H42O16 (622.2473)


   

(8s,9r,10s,11r)-11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl (2z)-3-phenylprop-2-enoate

(8s,9r,10s,11r)-11-(acetyloxy)-3,9-dihydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0²,⁷]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl (2z)-3-phenylprop-2-enoate

C34H38O11 (622.2414)