Chemical Formula: C31H40O12
Chemical Formula C31H40O12
Found 36 metabolite its formula value is C31H40O12
6-Hydroxysandoricin
Methyl 2-[5,11-bis(acetyloxy)-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]-2-hydroxyacetic acid
6-Hydroxysandoricin is a constituent of Sandoricum koetjape (santol).
6-Hydroxysandoricin
methyl 2-[5,11-bis(acetyloxy)-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0^{1,12}.0^{3,8}]heptadecan-7-yl]-2-hydroxyacetate
C31H40O12_Butanoic acid, 2-methyl-, 9-(3-furanyl)decahydro-2,6,8,9,14-pentahydroxy-3,8a-dimethyl-7-oxo-12H,13aH-3,6a,11b-[1,1,3]propanetriyl-2H,8H-oxireno[3,3a]indeno[5,4:4,5]pyrano[2,3-b]oxocin-4-yl ester
NCGC00347665-02_C31H40O12_Butanoic acid, 2-methyl-, 9-(3-furanyl)decahydro-2,6,8,9,14-pentahydroxy-3,8a-dimethyl-7-oxo-12H,13aH-3,6a,11b-[1,1,3]propanetriyl-2H,8H-oxireno[3,3a]indeno[5,4:4,5]pyrano[2,3-b]oxocin-4-yl ester
6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.0¹,¹⁰.0²,⁴.0²,⁷.0¹¹,¹⁸.0¹⁵,²³]tricosan-14-yl 2-methylbutanoate
6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.0¹,¹⁰.0²,⁴.0²,⁷.0¹¹,¹⁸.0¹⁵,²³]tricosan-14-yl 2-methylbutanoate
6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.0¹,¹⁰.0²,⁴.0²,⁷.0¹¹,¹⁸.0¹⁵,²³]tricosan-14-yl 2-methylbutanoate_major
6-(furan-3-yl)-6,8,12,16,21-pentahydroxy-7,15-dimethyl-9-oxo-3,17,19-trioxaheptacyclo[9.9.3.0¹,¹⁰.0²,⁴.0²,⁷.0¹¹,¹⁸.0¹⁵,²³]tricosan-14-yl 2-methylbutanoate_major
[(1s,3r,4s,5s,7r,9r,10s,11s,12r)-10-(furan-3-yl)-11-hydroxy-8-[(2-hydroxy-3-methylbutanoyl)oxy]-4-[(2r,3r)-2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
[(1s,3r,4s,5s,7r,9r,10s,11s,12r)-10-(furan-3-yl)-11-hydroxy-8-[(2-hydroxy-3-methylbutanoyl)oxy]-4-[(2r,3r)-2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
methyl (2s)-2-[(1r,2s,5s,6s,10s,11r,12s,13s,14s,15s,17r,18r)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
methyl (2s)-2-[(1r,2s,5s,6s,10s,11r,12s,13s,14s,15s,17r,18r)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
ethyl 2-[(1s,3s,4r,7r,8s,9r,11s,14s,17r,22s,23r,26s)-4,9,22-trihydroxy-4,9,11,19,19-pentamethyl-5,10,24-trioxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacos-16(20)-en-17-yl]acetate
ethyl 2-[(1s,3s,4r,7r,8s,9r,11s,14s,17r,22s,23r,26s)-4,9,22-trihydroxy-4,9,11,19,19-pentamethyl-5,10,24-trioxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacos-16(20)-en-17-yl]acetate
[10-(furan-3-yl)-11-hydroxy-8-[(2-hydroxy-3-methylbutanoyl)oxy]-4-[2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
[10-(furan-3-yl)-11-hydroxy-8-[(2-hydroxy-3-methylbutanoyl)oxy]-4-[2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
13-o-deacetyltaxumairolz
NA
{"Ingredient_id": "HBIN001277","Ingredient_name": "13-o-deacetyltaxumairolz","Alias": "NA","Ingredient_formula": "C31H40O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1O)C(C)(C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)COC(=O)C)O)O","Ingredient_weight": "604.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4784","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138114030","DrugBank_id": "NA"}
9(betah)-9-dihydro-19-acetoxy-10-deacetylbaccatin iii
9(βh)-9-dihydro-19-acetoxy-10-deacetyl-baccatin iii
{"Ingredient_id": "HBIN014070","Ingredient_name": "9(betah)-9-dihydro-19-acetoxy-10-deacetylbaccatin iii","Alias": "9(\u03b2h)-9-dihydro-19-acetoxy-10-deacetyl-baccatin iii","Ingredient_formula": "C31H40O12","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)COC(=O)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30119;5537","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,3s,10r,13s,16s)-16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
(1s,3s,10r,13s,16s)-16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
[(1s,3r,4r,5s,7r,8r,9r,10s,11r,12r)-10-(furan-3-yl)-11-hydroxy-8-{[(2r)-2-hydroxy-3-methylbutanoyl]oxy}-4-[(2s,3r)-2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
[(1s,3r,4r,5s,7r,8r,9r,10s,11r,12r)-10-(furan-3-yl)-11-hydroxy-8-{[(2r)-2-hydroxy-3-methylbutanoyl]oxy}-4-[(2s,3r)-2-(hydroxymethyl)-2-methyl-5-oxooxolan-3-yl]-4,9-dimethyl-2-methylidene-6,13-dioxatetracyclo[7.4.0.0¹,¹².0³,⁷]tridecan-5-yl]acetic acid
ethyl 2-{4,9,22-trihydroxy-4,9,11,19,19-pentamethyl-5,10,24-trioxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacos-16(20)-en-17-yl}acetate
ethyl 2-{4,9,22-trihydroxy-4,9,11,19,19-pentamethyl-5,10,24-trioxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1¹,⁸.0³,⁷.0¹⁴,²³.0¹⁶,²⁰.0¹¹,²⁶]hexacos-16(20)-en-17-yl}acetate
{4-[3-(furan-3-yl)-2,5-dihydroxy-4-[(2-hydroxy-3-methylbutanoyl)oxy]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl}acetic acid
{4-[3-(furan-3-yl)-2,5-dihydroxy-4-[(2-hydroxy-3-methylbutanoyl)oxy]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl}acetic acid
methyl (2s)-2-[(1r,2r,5s,6r,10s,11s,12s,13s,14r,15s,17s,18r)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
methyl (2s)-2-[(1r,2r,5s,6r,10s,11s,12s,13s,14r,15s,17s,18r)-12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
(1r,2s,3s,5s,8r,9r,10r,11s,13r,16s)-16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
(1r,2s,3s,5s,8r,9r,10r,11s,13r,16s)-16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
(1r,3s,7r,9s,12r,14r,15s,16s,17r,20z,24s,28r)-24-ethoxy-28-hydroxy-10,16-dimethyl-4,19-dioxo-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20-dien-9-yl acetate
(1r,3s,7r,9s,12r,14r,15s,16s,17r,20z,24s,28r)-24-ethoxy-28-hydroxy-10,16-dimethyl-4,19-dioxo-2,5,13,18,25-pentaoxaspiro[hexacyclo[22.3.1.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]nonacosane-15,2'-oxirane]-10,20-dien-9-yl acetate
[(3ar,4r,5r,7ar)-4-[(1ar,2r,3s,3ar,4r,5r,6r,7as)-3-(furan-3-yl)-2,5-dihydroxy-4-{[(2r)-2-hydroxy-3-methylbutanoyl]oxy}-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl]acetic acid
[(3ar,4r,5r,7ar)-4-[(1ar,2r,3s,3ar,4r,5r,6r,7as)-3-(furan-3-yl)-2,5-dihydroxy-4-{[(2r)-2-hydroxy-3-methylbutanoyl]oxy}-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl]acetic acid
methyl 2-[(1r,3r,4r,5s,7s,8r,9r,10r,12s,13s)-4,5-bis(acetyloxy)-13-(furan-3-yl)-9,10-dihydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1r,3r,4r,5s,7s,8r,9r,10r,12s,13s)-4,5-bis(acetyloxy)-13-(furan-3-yl)-9,10-dihydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
methyl 2-[12,14-bis(acetyloxy)-6-(furan-3-yl)-11,17-dihydroxy-1,5,15-trimethyl-8-oxo-7-oxapentacyclo[13.2.1.0²,¹¹.0⁵,¹⁰.0¹³,¹⁷]octadecan-18-yl]-2-hydroxyacetate
[(3ar,4r,5r,7ar)-4-[(1ar,2r,3s,3ar,4r,5r,6r,7as)-3-(furan-3-yl)-2,5-dihydroxy-4-[(2-hydroxy-3-methylbutanoyl)oxy]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl]acetic acid
[(3ar,4r,5r,7ar)-4-[(1ar,2r,3s,3ar,4r,5r,6r,7as)-3-(furan-3-yl)-2,5-dihydroxy-4-[(2-hydroxy-3-methylbutanoyl)oxy]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-4,7a-dimethyl-2-oxo-tetrahydrofuro[2,3-c]pyran-5-yl]acetic acid
methyl 2-[(1r,3r,4r,5s,7s,8r,9s,10r,12s,13s)-4,5-bis(acetyloxy)-13-(furan-3-yl)-9,10-dihydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1r,3r,4r,5s,7s,8r,9s,10r,12s,13s)-4,5-bis(acetyloxy)-13-(furan-3-yl)-9,10-dihydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.0¹,¹².0³,⁸]heptadecan-7-yl]acetate
16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
16-(acetyloxy)-10-[(acetyloxy)methyl]-5,8,9,11-tetrahydroxy-3-(2-hydroxypropan-2-yl)-6-methyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-2-yl benzoate
methyl 2-[(1s,3r,4r,5s,7s,8s,9s,10s,11s,12s,16r)-4,5-bis(acetyloxy)-12-(furan-3-yl)-10-hydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.0¹,¹¹.0³,⁸]heptadecan-7-yl]acetate
methyl 2-[(1s,3r,4r,5s,7s,8s,9s,10s,11s,12s,16r)-4,5-bis(acetyloxy)-12-(furan-3-yl)-10-hydroxy-6,6,8,11,16-pentamethyl-14,17-dioxo-2,13-dioxatetracyclo[7.6.2.0¹,¹¹.0³,⁸]heptadecan-7-yl]acetate