Chemical Formula: C30H40O13
Chemical Formula C30H40O13
Found 51 metabolite its formula value is C30H40O13
(1R*,3aS*,4Z,8S*,8aS*,9R*,10S*,11S*,12aS*,13S*,13aS*)-1,2,3a,6,7,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-13a-hydroxy-1,5,8a-trimethyl-12-methylidene-2-oxobenzo[4,5]cyclodeca[1,2-b]furan-8,9,10,11,13-pentayl pentaacetate|frajunolide B|rel-(1S,2S,5Z,7S,8S,9S,10S,12S,13S,14R,17R)-2,9,12,13,14-pentaacetoxy-8-hydroxybriara-5,11(20)-dien-18,7-olide
(1R*,3aS*,4Z,8S*,8aS*,9R*,10S*,11S*,12aS*,13S*,13aS*)-1,2,3a,6,7,8,8a,9,10,11,12,12a,13,13a-tetradecahydro-13a-hydroxy-1,5,8a-trimethyl-12-methylidene-2-oxobenzo[4,5]cyclodeca[1,2-b]furan-8,9,10,11,13-pentayl pentaacetate|frajunolide B|rel-(1S,2S,5Z,7S,8S,9S,10S,12S,13S,14R,17R)-2,9,12,13,14-pentaacetoxy-8-hydroxybriara-5,11(20)-dien-18,7-olide
(5S)-5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-3-heptanone 5-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside|5-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranosyl-1,7-bis-(4-hydroxyphenyl)-heptan-3-one
(5S)-5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-3-heptanone 5-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranoside|5-O-beta-D-apiofuranosyl-(1->2)-beta-D-glucopyranosyl-1,7-bis-(4-hydroxyphenyl)-heptan-3-one
(5S)-5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-3-heptanone 5-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|(5S)-5-hydroxy-1,7-bis-(4-hydroxyphenyl)-3-heptanone-5-O-beta-d-apiofuranosyl-(1?6)-beta-d-glucopyranoside
(5S)-5-Hydroxy-1,7-bis-(4-hydroxyphenyl)-3-heptanone 5-O-beta-D-apiofuranosyl-(1->6)-beta-D-glucopyranoside|(5S)-5-hydroxy-1,7-bis-(4-hydroxyphenyl)-3-heptanone-5-O-beta-d-apiofuranosyl-(1?6)-beta-d-glucopyranoside
3,5,7,8,15-pentaacetoxy-2-hydroxy-9,14-dioxojatropha-6(17),11E-diene
3,5,7,8,15-pentaacetoxy-2-hydroxy-9,14-dioxojatropha-6(17),11E-diene
[(2R,5R,6E,13aS)-1,3a,10,11-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate
[(2R,5R,6E,13aS)-1,3a,10,11-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate
[(2R,5R,6E,13S,13aS)-1,3a,10,11-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate
[(2R,5R,6E,13S,13aS)-1,3a,10,11-tetraacetyloxy-2-hydroxy-2,5,8,8-tetramethyl-12-methylidene-4,9-dioxo-3,5,10,11,13,13a-hexahydro-1H-cyclopenta[12]annulen-13-yl] acetate
[(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
[(1s,2s,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
methyl (1r,2s,3r,6r,8s,9r,12s,13s,14r,15r,16s,17s)-3-{[(2e)-4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadecane-17-carboxylate
methyl (1r,2s,3r,6r,8s,9r,12s,13s,14r,15r,16s,17s)-3-{[(2e)-4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadecane-17-carboxylate
(1s,4as,6s,7s,7as)-7-(hydroxymethyl)-6-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-4-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
(1s,4as,6s,7s,7as)-7-(hydroxymethyl)-6-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-4-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
(1r,2r,3s,4r,5s,7s,8s,9r,10s,12z,14s,17r)-5,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
(1r,2r,3s,4r,5s,7s,8s,9r,10s,12z,14s,17r)-5,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
5alpha-acetyl-5alpha-decinnamoyltaxagifine
5α-acetyl-5α-decinnamoyltaxagifine
{"Ingredient_id": "HBIN011404","Ingredient_name": "5alpha-acetyl-5alpha-decinnamoyltaxagifine","Alias": "5\u03b1-acetyl-5\u03b1-decinnamoyltaxagifine","Ingredient_formula": "C30H40O13","Ingredient_Smile": "CC(=O)OC1CC(C2(C(C1=C)C(C3CC(=O)C4(C(C3(CO4)C)(C(C2OC(=O)C)OC(=O)C)O)C)OC(=O)C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "26105;368","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2r,3r,4s,7r,8z,12r,13r,14s,15r,16r)-2,14,15,16-tetrakis(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl acetate
(1r,2r,3r,4s,7r,8z,12r,13r,14s,15r,16r)-2,14,15,16-tetrakis(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl acetate
(5s)-5-{[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
(5s)-5-{[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
[2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-9-yl]methyl acetate
[2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-9-yl]methyl acetate
2-(hydroxymethyl)-6-[(2-methoxy-1,8-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydrophenanthren-4-yl)methoxy]oxane-3,4,5-triol
2-(hydroxymethyl)-6-[(2-methoxy-1,8-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydrophenanthren-4-yl)methoxy]oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2-methoxy-1,8-dimethyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydrophenanthren-4-yl)methoxy]oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2-methoxy-1,8-dimethyl-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydrophenanthren-4-yl)methoxy]oxane-3,4,5-triol
2,14,15,16-tetrakis(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl acetate
2,14,15,16-tetrakis(acetyloxy)-3-hydroxy-4,9,13-trimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-12-yl acetate
(1s,2s,3s,5r,8s,9z,12s,13s,14r,15r,16s,17s,19r)-2,13,15-tris(acetyloxy)-16-hydroxy-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0³,⁵.0³,⁸.0¹⁷,¹⁹]nonadec-9-en-12-yl butanoate
(1s,2s,3s,5r,8s,9z,12s,13s,14r,15r,16s,17s,19r)-2,13,15-tris(acetyloxy)-16-hydroxy-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0³,⁵.0³,⁸.0¹⁷,¹⁹]nonadec-9-en-12-yl butanoate
5-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
5-{[6-({[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
3-[5'-(3-butoxy-3-oxopropyl)-2'-hydroxy-3',5-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]propanoic acid
3-[5'-(3-butoxy-3-oxopropyl)-2'-hydroxy-3',5-dimethoxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]propanoic acid
3-[5'-(3-butoxy-3-oxopropyl)-6-hydroxy-3',5-dimethoxy-2'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]propanoic acid
3-[5'-(3-butoxy-3-oxopropyl)-6-hydroxy-3',5-dimethoxy-2'-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]propanoic acid
5-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1,7-bis(4-hydroxyphenyl)heptan-3-one
5-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-1,7-bis(4-hydroxyphenyl)heptan-3-one
(1s,2r,3s,4r,5s,7s,8r,9s,10s,12z,14s,17r)-5,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
(1s,2r,3s,4r,5s,7s,8r,9s,10s,12z,14s,17r)-5,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
7-(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
7-(hydroxymethyl)-6-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-4-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl 3-methylbutanoate
(5s)-5-{[(2r,3r,4s,5s,6r)-6-({[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
(5s)-5-{[(2r,3r,4s,5s,6r)-6-({[(2s,3s,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
[(1s,2r,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-9-yl]methyl acetate
[(1s,2r,3s,4r,7s,8z,10r,12s,13r,14s)-2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-9-yl]methyl acetate
[2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
[2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
(1s,2r,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-5,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
(1s,2r,3s,4r,5s,7s,8r,9r,10s,12z,14s,17r)-5,7,9,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-2-yl acetate
(5s)-5-{[(2r,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
(5s)-5-{[(2r,3r,4s,5s,6r)-3-{[(2s,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
(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 butanoate
(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 butanoate
3-[5'-(3-butoxy-3-oxopropyl)-2'-hydroxy-3',5-dimethoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]propanoic acid
3-[5'-(3-butoxy-3-oxopropyl)-2'-hydroxy-3',5-dimethoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]propanoic acid
(5s)-5-{[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
(5s)-5-{[(2r,3r,4s,5s,6r)-6-({[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
5-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
5-{[6-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-1,7-bis(4-hydroxyphenyl)heptan-3-one
(1s,2r,3s,5r,8s,9z,12r,13r,14r,15r,16s,17s,19r)-2,13,15-tris(acetyloxy)-16-hydroxy-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0³,⁵.0³,⁸.0¹⁷,¹⁹]nonadec-9-en-12-yl butanoate
(1s,2r,3s,5r,8s,9z,12r,13r,14r,15r,16s,17s,19r)-2,13,15-tris(acetyloxy)-16-hydroxy-5,10,14,19-tetramethyl-6-oxo-4,7,18-trioxapentacyclo[12.5.0.0³,⁵.0³,⁸.0¹⁷,¹⁹]nonadec-9-en-12-yl butanoate
[(1s,2s,3r,4r,7s,8z,10r,12s,13r,14s)-2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
[(1s,2s,3r,4r,7s,8z,10r,12s,13r,14s)-2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13-dimethyl-17-methylidene-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadec-8-en-9-yl]methyl acetate
3-[5'-(3-butoxy-3-oxopropyl)-6-hydroxy-3',5-dimethoxy-2'-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]propanoic acid
3-[5'-(3-butoxy-3-oxopropyl)-6-hydroxy-3',5-dimethoxy-2'-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-yl]propanoic acid
[(1s,2r,3s,4r,7s,8z,10r,12r,13r,14s)-2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-9-yl]methyl acetate
[(1s,2r,3s,4r,7s,8z,10r,12r,13r,14s)-2,10,12,14-tetrakis(acetyloxy)-3-hydroxy-4,13,17-trimethyl-5-oxo-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-8,16-dien-9-yl]methyl acetate
2,5,7,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-9-yl acetate
2,5,7,10-tetrakis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-15,18-dioxatetracyclo[12.4.0.0¹,¹⁷.0³,⁸]octadec-12-en-9-yl acetate
