Exact Mass: 636.2782
Exact Mass Matches: 636.2782
Found 53 metabolites which its exact mass value is equals to given mass value 636.2782,
within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error
8.0E-6 dalton.
Taxachitriene A
[(1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-Pentaacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
Taxachitriene A is a natural product found in Taxus baccata and Taxus cuspidata with data available.
1-Dehydroxybaccatin IV
[(1R,2R,3R,4S,7R,9S,10S,11R,12R,15S)-2,4,9,11,12-Pentaacetyloxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] acetate
1-Dehydroxybaccatin IV is a natural product found in Taxus wallichiana and Taxus baccata with data available.
3,5,10,14-O-tetracetyl-8-O-isobutanoyl-cyclomyrsinol
3,5,10,14-O-tetracetyl-8-O-isobutanoyl-cyclomyrsinol
rel-(3R,5S,5aR,6R,7S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]octahydro-9-hydroxy-2,2,9-trimethyl-6-(2-methyl-1-oxobutoxy)-7-(1-oxopropoxy)-2H-3,9a-methano-1-benzoxepin-5-yl furan-3-carboxylate
rel-(3R,5S,5aR,6R,7S,9S,9aS,10R)-10-(acetyloxy)-5a-[(acetyloxy)methyl]octahydro-9-hydroxy-2,2,9-trimethyl-6-(2-methyl-1-oxobutoxy)-7-(1-oxopropoxy)-2H-3,9a-methano-1-benzoxepin-5-yl furan-3-carboxylate
3,5,7,15-tetraacetoxy-2-hydroxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene (2)
3,5,7,15-tetraacetoxy-2-hydroxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene (2)
[(1R,2R,3R,5S,7S,8S,9R,10R,13S)-2,5,7,9,10-pentaacetyloxy-8,12,15,15-tetramethylspiro[oxirane-2,4-tricyclo[9.3.1.03,8]pentadec-11-ene]-13-yl] acetate
[(1R,2R,3R,5S,7S,8S,9R,10R,13S)-2,5,7,9,10-pentaacetyloxy-8,12,15,15-tetramethylspiro[oxirane-2,4-tricyclo[9.3.1.03,8]pentadec-11-ene]-13-yl] acetate
[(2R,5R,6E,10R,13aS)-1,3a,11,13-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylpropanoate
[(2R,5R,6E,10R,13aS)-1,3a,11,13-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylpropanoate
[(2R,5R,6E,10R,13S,13aS)-1,3a,11,13-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylpropanoate
[(2R,5R,6E,10R,13S,13aS)-1,3a,11,13-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylpropanoate
(1s,2r,3r,4s,7r,9s,10s,11r,12r,15s)-2,9,11,12,15-pentakis(acetyloxy)-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-4-yl acetate
(1s,2r,3r,4s,7r,9s,10s,11r,12r,15s)-2,9,11,12,15-pentakis(acetyloxy)-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-4-yl acetate
(1r,2s,3e,5s,7s,8z,10r,13s)-2,5,7,9,10-pentakis(acetyloxy)-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
(1r,2s,3e,5s,7s,8z,10r,13s)-2,5,7,9,10-pentakis(acetyloxy)-4-(hydroxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-13-yl acetate
(1s,2r,3s,4s,5r,8s,9r,10r,11s,12z,14s,17r)-2,9,10-tris(acetyloxy)-4,5-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-11-yl hexanoate
(1s,2r,3s,4s,5r,8s,9r,10r,11s,12z,14s,17r)-2,9,10-tris(acetyloxy)-4,5-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-11-yl hexanoate
(1r,2r,3s,4r,5s,7s,8s,9r,10s,12z,14s,17r)-2,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl butanoate
(1r,2r,3s,4r,5s,7s,8s,9r,10s,12z,14s,17r)-2,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl butanoate
2,12,14-tris(acetyloxy)-9-[(acetyloxy)methyl]-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-10-yl butanoate
2,12,14-tris(acetyloxy)-9-[(acetyloxy)methyl]-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-10-yl butanoate
(1s,2r,3s,4s,5r,8r,9r,10r,11s,12z,14s,17r)-2,5,9-tris(acetyloxy)-4,10-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-11-yl hexanoate
(1s,2r,3s,4s,5r,8r,9r,10r,11s,12z,14s,17r)-2,5,9-tris(acetyloxy)-4,10-dihydroxy-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadeca-6,12-dien-11-yl hexanoate
1beta-dehydroxybaccatin iv
1β-dehydroxybaccatin iv
{"Ingredient_id": "HBIN002387","Ingredient_name": "1beta-dehydroxybaccatin iv","Alias": "1\u03b2-dehydroxybaccatin iv","Ingredient_formula": "C32H44O13","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25937;4979","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
baccatin i
NA
{"Ingredient_id": "HBIN017480","Ingredient_name": "baccatin i","Alias": "NA","Ingredient_formula": "C32H44O13","Ingredient_Smile": "CC1=C2C(C(C3(C(CC(C4(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "636.7 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2072","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101606280","DrugBank_id": "NA"}
(1s,2r,3s,4r,5s,7s,8r,9s,10s,12z,14s,17r)-2,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl butanoate
(1s,2r,3s,4r,5s,7s,8r,9s,10s,12z,14s,17r)-2,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl butanoate
(1r,2r,3ar,5r,9r,11r,13r,13as)-1,3a,9,11,13-pentakis(acetyloxy)-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1h,3h,5h,9h,10h,11h,13h,13ah-cyclopenta[12]annulen-2-yl acetate
(1r,2r,3ar,5r,9r,11r,13r,13as)-1,3a,9,11,13-pentakis(acetyloxy)-2,5,8,8-tetramethyl-12-methylidene-4-oxo-1h,3h,5h,9h,10h,11h,13h,13ah-cyclopenta[12]annulen-2-yl acetate
2,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl butanoate
2,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl butanoate
(1r,3ar,3bs,5r,7s,9ar,9br,11r,11as)-3a,3b,11-trihydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate
(1r,3ar,3bs,5r,7s,9ar,9br,11r,11as)-3a,3b,11-trihydroxy-9a,11a-dimethyl-1-(6-oxopyran-3-yl)-7-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,2h,3h,4h,5h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-yl acetate
[(1r,10r)-2,7,9,10,13-pentakis(acetyloxy)-5-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate
[(1r,10r)-2,7,9,10,13-pentakis(acetyloxy)-5-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate
(1's,2r,2'r,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',7',9',10'-pentakis(acetyloxy)-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1's,2r,2'r,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',7',9',10'-pentakis(acetyloxy)-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1s,2r,3s,4r,5s,7s,8r,9s,10s,12z,14s,17r)-2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
(1s,2r,3s,4r,5s,7s,8r,9s,10s,12z,14s,17r)-2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
(1s,2r,3s,4r,7s,8z,10r,12r,13r,14s)-2,12,14-tris(acetyloxy)-9-[(acetyloxy)methyl]-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-10-yl butanoate
(1s,2r,3s,4r,7s,8z,10r,12r,13r,14s)-2,12,14-tris(acetyloxy)-9-[(acetyloxy)methyl]-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-10-yl butanoate
[(1r,2s,3e,5s,7s,8e,10r,13s)-2,7,9,10,13-pentakis(acetyloxy)-5-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate
[(1r,2s,3e,5s,7s,8e,10r,13s)-2,7,9,10,13-pentakis(acetyloxy)-5-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate
(1r,2r,3s,4r,5s,7s,8s,9r,10s,12z,14s,17r)-2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
(1r,2r,3s,4r,5s,7s,8s,9r,10s,12z,14s,17r)-2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
[2,7,9,10,13-pentakis(acetyloxy)-5-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate
[2,7,9,10,13-pentakis(acetyloxy)-5-hydroxy-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-4-yl]methyl acetate
(1s,2s,3s,4r,5s,7s,8r,9s,10s,12z,14s,17r)-2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
(1s,2s,3s,4r,5s,7s,8r,9s,10s,12z,14s,17r)-2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
(1'r,2r,2'r,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',7',9',10'-pentakis(acetyloxy)-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1'r,2r,2'r,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',7',9',10'-pentakis(acetyloxy)-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1s,2r,3s,4r,5s,7s,8r,9s,10s,14s,17r)-2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
(1s,2r,3s,4r,5s,7s,8r,9s,10s,14s,17r)-2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
(1s,2r,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl butanoate
(1s,2r,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-5-yl butanoate
(1s,2r,3s,4r,7s,8z,10r,12r,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-10-yl (3s)-3-(acetyloxy)butanoate
(1s,2r,3s,4r,7s,8z,10r,12r,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-10-yl (3s)-3-(acetyloxy)butanoate
(1r,2r,3r,4s,7r,9s,10s,11r,12r,15s)-2,9,11,12,15-pentakis(acetyloxy)-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-4-yl acetate
(1r,2r,3r,4s,7r,9s,10s,11r,12r,15s)-2,9,11,12,15-pentakis(acetyloxy)-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-4-yl acetate
2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
(1s,2r,3s,4r,7s,8z,10r,12r,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-10-yl (3r)-3-(acetyloxy)butanoate
(1s,2r,3s,4r,7s,8z,10r,12r,13r,14s)-2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-10-yl (3r)-3-(acetyloxy)butanoate
2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-10-yl 3-(acetyloxy)butanoate
2,12,14-tris(acetyloxy)-3-hydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-10-yl 3-(acetyloxy)butanoate
(1s,2r,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
(1s,2r,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-2,5,7,9-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-10-yl butanoate
2',5',7',9',10'-pentakis(acetyloxy)-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
2',5',7',9',10'-pentakis(acetyloxy)-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1'r,2s,2'r,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',7',9',10'-pentakis(acetyloxy)-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
(1'r,2s,2'r,3'r,5's,7's,8's,9'r,10'r,13's)-2',5',7',9',10'-pentakis(acetyloxy)-8',12',15',15'-tetramethylspiro[oxirane-2,4'-tricyclo[9.3.1.0³,⁸]pentadecan]-11'-en-13'-yl acetate
