Exact Mass: 602.2122528
Exact Mass Matches: 602.2122528
Found 48 metabolites which its exact mass value is equals to given mass value 602.2122528,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
10-Formyl-THF-L-glutamate
2-[[4-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
Tipranavir
N-{3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulphonamide
Tipranavir is only found in individuals that have used or taken this drug. It is a sulfonamide-containing dyhydropyrone and a nonpeptidic protease inhibitor that targets the HIV protease. It is administered with ritonavir in combination therapy to treat HIV infections.Tipranavir inhibits the processing of the viral Gag and Gag-Pol polyproteins in HIV-1 infected cells, thus preventing formation of mature virions. Two mechanisms are suggested in regards to the potency of tipranavir: 1. Tipravanir may bind to the active site of the protease enzyme with fewer hydrogen bonds than peptidic protease inhibitors, which results in increased flexibility, allowing it to fit into the active site of the enzyme in viruses that have become resistance to other protease inhibitors. This also enables tipranavir to adjust to amino acid substitutions at the active site. 2. Tipranavirs strong hydrogen bonding interaction with the amide backbone of the protease active site Asp30 may lead to its activity against resistant viruses.
N-[3-[(1S)-1-[(6R)-2,4-Dioxo-6-(2-phenylethyl)-6-propyloxan-3-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
N-[3-[(1S)-1-[(6R)-2,4-Dioxo-6-(2-phenylethyl)-6-propyloxan-3-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulphonamide
Mesoporphyrin IX dichloride
3-[20-(3-chloro-3-oxopropyl)-10,15-diethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,14,16,18(21),19-undecaen-4-yl]propanoyl chloride
Calyflorenone D
(2S,4R,6aR,8R,10S,13bR)-2,3,4,6,6a,9,10,13b-Octahydro-4,8-dihydroxy-6a,12,13,13b-tetramethoxy-2,10-diphenyl-5H,8H-furo[2,3-f:5,4-h]bis[1]benzopyran-5-one
2-Pyridinesulfonamide, N-(3-(1-(5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-
2-Pyridinesulfonamide, N-(3-(1-(5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl)propyl)phenyl)-5-(trifluoromethyl)-
piperchabaoside B|trans-cinnamyl alcohol O-beta-D-glucopyranosyl-(1->4)-6-O-(S)-3-hydroxy-3-methylglutaroyl-beta-D-glucopyranoside
piperchabaoside B|trans-cinnamyl alcohol O-beta-D-glucopyranosyl-(1->4)-6-O-(S)-3-hydroxy-3-methylglutaroyl-beta-D-glucopyranoside
1,1,2,2-Tetrahydro-2,2,5,5,10,10-hexahydroxy-2,2,6,6-tetramethyl-7,7-dimethoxy-9,9-bianthracene-4,4(3H,3H)-dione
1,1,2,2-Tetrahydro-2,2,5,5,10,10-hexahydroxy-2,2,6,6-tetramethyl-7,7-dimethoxy-9,9-bianthracene-4,4(3H,3H)-dione
2,2,7,7-tetrahydroxy-3,3,4,4,6,6-hexamethoxy-9,9,10,10-tetrahydro-1,1-biphenanthryl|amplumthrin
2,2,7,7-tetrahydroxy-3,3,4,4,6,6-hexamethoxy-9,9,10,10-tetrahydro-1,1-biphenanthryl|amplumthrin
COC1=C(C=2C=C3CC(CC(C3=C(C2C(=C1C)O)O)=O)(C)O)C1=C2CC(CC(C2=C(C2=C(C(=C(C=C12)OC)C)O)O)=O)(C)O
COC1=C(C=2C=C3CC(CC(C3=C(C2C(=C1C)O)O)=O)(C)O)C1=C2CC(CC(C2=C(C2=C(C(=C(C=C12)OC)C)O)O)=O)(C)O
Genkwadaphnin
[(1R,2R,6S,7S,8R,10S,11S,12R,14R,16S,17R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] benzoate
12-beta-(Benzoyloxy)daphnetoxin is a natural product found in Daphne genkwa, Daphne oleoides, and other organisms with data available.
Tipranavir
N-{3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AE - Protease inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C97366 - HIV Protease Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent > C1660 - Anti-HIV Agent
14c-Tipranavir
14c-Tipranavir
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D044966 - Anti-Retroviral Agents
(1s,2s,5s)-2-[(1s)-1-carboxy-2-({2-[(2s,3e,4s)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetyl}oxy)ethyl]-5-methylcyclopentane-1-carboxylic acid
(1s,2s,5s)-2-[(1s)-1-carboxy-2-({2-[(2s,3e,4s)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetyl}oxy)ethyl]-5-methylcyclopentane-1-carboxylic acid
(2r,5r,7s,11r,15s,17r)-7,15-dihydroxy-2,11,20,21-tetramethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁴,¹⁹]henicosa-1(21),3(8),13,19-tetraen-9-one
(2r,5r,7s,11r,15s,17r)-7,15-dihydroxy-2,11,20,21-tetramethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁴,¹⁹]henicosa-1(21),3(8),13,19-tetraen-9-one
2-[1-carboxy-2-({2-[3-ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetyl}oxy)ethyl]-5-methylcyclopentane-1-carboxylic acid
2-[1-carboxy-2-({2-[3-ethylidene-5-(methoxycarbonyl)-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetyl}oxy)ethyl]-5-methylcyclopentane-1-carboxylic acid
2',4,5',7,10,10'-hexahydroxy-2,7'-dimethoxy-2',3,6',7-tetramethyl-1',3',6,8-tetrahydro-[1,9'-bianthracene]-4',5-dione
2',4,5',7,10,10'-hexahydroxy-2,7'-dimethoxy-2',3,6',7-tetramethyl-1',3',6,8-tetrahydro-[1,9'-bianthracene]-4',5-dione
2''-epiframeroside
NA
{"Ingredient_id": "HBIN005582","Ingredient_name": "2''-epiframeroside","Alias": "NA","Ingredient_formula": "C27H38O15","Ingredient_Smile": "CC=C1C(C(=COC1OC2C(C(C(C(O2)CO)O)O)O)C(=O)OC)CC(=O)OCC(C3CCC(C3C(=O)O)C)C(=O)O","Ingredient_weight": "602.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6916","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11968448","DrugBank_id": "NA"}
(2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione
(2's,6s)-2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione
7,15-dihydroxy-2,11,20,21-tetramethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁴,¹⁹]henicosa-1(21),3(8),13,19-tetraen-9-one
7,15-dihydroxy-2,11,20,21-tetramethoxy-5,17-diphenyl-4,12,18-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁴,¹⁹]henicosa-1(21),3(8),13,19-tetraen-9-one
(1r,2r,6s,7s,8r,10s,11s,12r,14s,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
(1r,2r,6s,7s,8r,10s,11s,12r,14s,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
2,2',10,10'-tetrahydroxy-5,5',7,7'-tetramethoxy-2,2'-dimethyl-1h,1'h,3h,3'h-[9,9'-bianthracene]-4,4'-dione
2,2',10,10'-tetrahydroxy-5,5',7,7'-tetramethoxy-2,2'-dimethyl-1h,1'h,3h,3'h-[9,9'-bianthracene]-4,4'-dione
3,3',4,4',6,6'-hexamethoxy-9h,9'h,10h,10'h-[1,1'-biphenanthrene]-2,2',7,7'-tetrol
3,3',4,4',6,6'-hexamethoxy-9h,9'h,10h,10'h-[1,1'-biphenanthrene]-2,2',7,7'-tetrol
(1r,2r,6s,7s,8r,10s,11s,12r,14s,16s,17s,18r)-6,7-dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl 4-hydroxybenzoate
(1r,2r,6s,7s,8r,10s,11s,12r,14s,16s,17s,18r)-6,7-dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl 4-hydroxybenzoate
(1r,2r,6s,7s,8r,10s,11s,12r,14r,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
(1r,2r,6s,7s,8r,10s,11s,12r,14r,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
(2's,7s)-2',4,5',7,10,10'-hexahydroxy-2,7'-dimethoxy-2',3,6',7-tetramethyl-1',3',6,8-tetrahydro-[1,9'-bianthracene]-4',5-dione
(2's,7s)-2',4,5',7,10,10'-hexahydroxy-2,7'-dimethoxy-2',3,6',7-tetramethyl-1',3',6,8-tetrahydro-[1,9'-bianthracene]-4',5-dione
(2s,2's)-2,2',10,10'-tetrahydroxy-5,5',7,7'-tetramethoxy-2,2'-dimethyl-1h,1'h,3h,3'h-[9,9'-bianthracene]-4,4'-dione
(2s,2's)-2,2',10,10'-tetrahydroxy-5,5',7,7'-tetramethoxy-2,2'-dimethyl-1h,1'h,3h,3'h-[9,9'-bianthracene]-4,4'-dione
2,2',5,5',10,10'-hexahydroxy-7,7'-dimethoxy-2,2',6,6'-tetramethyl-1h,1'h,3h,3'h-[9,9'-bianthracene]-4,4'-dione
2,2',5,5',10,10'-hexahydroxy-7,7'-dimethoxy-2,2',6,6'-tetramethyl-1h,1'h,3h,3'h-[9,9'-bianthracene]-4,4'-dione
6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
(1r,2r,6s,7s,8r,10s,11r,12r,14s,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
(1r,2r,6s,7s,8r,10s,11r,12r,14s,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione
2',6,9,10'-tetrahydroxy-1,3,5',7'-tetramethoxy-2',6-dimethyl-1',3',5,7-tetrahydro-[2,9'-bianthracene]-4',8-dione
(2s,2's)-2,2',5,5',10,10'-hexahydroxy-7,7'-dimethoxy-2,2',6,6'-tetramethyl-1h,1'h,3h,3'h-[9,9'-bianthracene]-4,4'-dione
(2s,2's)-2,2',5,5',10,10'-hexahydroxy-7,7'-dimethoxy-2,2',6,6'-tetramethyl-1h,1'h,3h,3'h-[9,9'-bianthracene]-4,4'-dione
6,7-dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl 4-hydroxybenzoate
6,7-dihydroxy-4,8,18-trimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl 4-hydroxybenzoate
5-({4,5-dihydroxy-6-[(3-phenylprop-2-en-1-yl)oxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid
5-({4,5-dihydroxy-6-[(3-phenylprop-2-en-1-yl)oxy]-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid
(1r,2s,6s,7s,8r,10s,11r,12r,14s,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
(1r,2s,6s,7s,8r,10s,11r,12r,14s,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl benzoate
(3s)-5-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(2e)-3-phenylprop-2-en-1-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
(3s)-5-{[(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(2e)-3-phenylprop-2-en-1-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
(1r,2s,5s)-2-[(1s)-1-carboxy-2-({2-[(2s,3e,4s)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetyl}oxy)ethyl]-5-methylcyclopentane-1-carboxylic acid
(1r,2s,5s)-2-[(1s)-1-carboxy-2-({2-[(2s,3e,4s)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydropyran-4-yl]acetyl}oxy)ethyl]-5-methylcyclopentane-1-carboxylic acid
methyl (1r,9s,17r)-3,15-dihydroxy-17-[(4r)-5-hydroxy-6-(methoxycarbonyl)-2,4,7-trimethylchromen-4-yl]-5,9,13-trimethyl-8,10-dioxatetracyclo[7.7.1.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-4-carboxylate
methyl (1r,9s,17r)-3,15-dihydroxy-17-[(4r)-5-hydroxy-6-(methoxycarbonyl)-2,4,7-trimethylchromen-4-yl]-5,9,13-trimethyl-8,10-dioxatetracyclo[7.7.1.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-4-carboxylate