Chemical Formula: C31H46O9
Chemical Formula C31H46O9
Found 49 metabolite its formula value is C31H46O9
(2S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-2,7,12-triyl triacetate
"(2S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-2,7,12-triyl triacetate"
3beta,11beta-dihydroxy-24,25,26,27-tetranor-cycloart-7-en-23,16beta-olide-3- O-beta-D-xylopyranoside
3beta,11beta-dihydroxy-24,25,26,27-tetranor-9beta,19-cyclo-lanost-7-en-23,16beta-olide-3- O-beta-D-xylopyranoside
Oleandrigenin monodigitoxoside
Oleandrigenin monodigitoxoside
A steroid saponin that consists of oleandrigenin having a digitoxosyl residue attached at position 3.
2-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
2-O-methyl-rhamnosyl tetracyclic spinosyn pseudoaglycone
2-methoxy-3,5-dimethyl-6-[(1E,5E,7E,11E)-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-1,5,7,11-tetraenyl]pyran-4-one
2-methoxy-3,5-dimethyl-6-[(1E,5E,7E,11E)-3,7,9,11-tetramethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytrideca-1,5,7,11-tetraenyl]pyran-4-one
(2S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-2,7,12-triyl triacetate
(2S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-5-methoxy-5-oxopentan-2-yl)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthrene-2,7,12-triyl triacetate
3-{3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-(2,4-dimethyl-5-oxooxolan-3-yl)-3-hydroxybutan-2-yl acetate
3-{3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl}-1-(2,4-dimethyl-5-oxooxolan-3-yl)-3-hydroxybutan-2-yl acetate
(2r,3r)-3-[(1s,3as,5ar,7r,8r,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2r,3s,4s)-2,4-dimethyl-5-oxooxolan-3-yl]-3-hydroxybutan-2-yl acetate
(2r,3r)-3-[(1s,3as,5ar,7r,8r,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2r,3s,4s)-2,4-dimethyl-5-oxooxolan-3-yl]-3-hydroxybutan-2-yl acetate
(2s,3s,4r,6s,7s,8r,11r)-6-(acetyloxy)-8-(butanoyloxy)-14-[(2r)-1-methoxy-1-oxopropan-2-yl]-3,7,11-trimethyl-15-oxatricyclo[9.3.1.0²,⁷]pentadeca-1(14),12-dien-4-yl butanoate
(2s,3s,4r,6s,7s,8r,11r)-6-(acetyloxy)-8-(butanoyloxy)-14-[(2r)-1-methoxy-1-oxopropan-2-yl]-3,7,11-trimethyl-15-oxatricyclo[9.3.1.0²,⁷]pentadeca-1(14),12-dien-4-yl butanoate
2-[5-hydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-4a,10a-dimethyl-6,9-dioxo-2,3,4,4b,5,11,12,12a-octahydro-1,10-dioxatetraphen-8-yl]-4-methylhexan-3-yl acetate
2-[5-hydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-4a,10a-dimethyl-6,9-dioxo-2,3,4,4b,5,11,12,12a-octahydro-1,10-dioxatetraphen-8-yl]-4-methylhexan-3-yl acetate
(1r,3s,5s,6ar,7s,8r,9r,10s,10ar)-1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate
(1r,3s,5s,6ar,7s,8r,9r,10s,10ar)-1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate
2-methoxy-3,5-dimethyl-6-[(1e,5e,7e,11e)-3,7,9,11-tetramethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-1,5,7,11-tetraen-1-yl]pyran-4-one
2-methoxy-3,5-dimethyl-6-[(1e,5e,7e,11e)-3,7,9,11-tetramethyl-10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-1,5,7,11-tetraen-1-yl]pyran-4-one
22-acetylcasterone
NA
{"Ingredient_id": "HBIN003677","Ingredient_name": "22-acetylcasterone","Alias": "NA","Ingredient_formula": "C31H46O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "346","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5alpha-Hydroxy-2alpha-(alpha-methylbutyryl)-oxy-7beta,9alpha,10beta-triacetoxy-4(20),11-taxadiene
5α-hydroxy-2α-(α-methylbutyryl)-oxy-7β,9α,10β-triacetoxy-4(20),11-taxadiene; 5alpha-hydroxy-2alpha-(alpha-methylbutyryl)-oxy-7beta,9alpha,10beta-triacetoxy-4(20),11-taxadiene
{"Ingredient_id": "HBIN011422","Ingredient_name": "5alpha-Hydroxy-2alpha-(alpha-methylbutyryl)-oxy-7beta,9alpha,10beta-triacetoxy-4(20),11-taxadiene","Alias": "5\u03b1-hydroxy-2\u03b1-(\u03b1-methylbutyryl)-oxy-7\u03b2,9\u03b1,10\u03b2-triacetoxy-4(20),11-taxadiene; 5alpha-hydroxy-2alpha-(alpha-methylbutyryl)-oxy-7beta,9alpha,10beta-triacetoxy-4(20),11-taxadiene","Ingredient_formula": "C31H46O9","Ingredient_Smile": "CCC(C)C(=O)OC1C2CCC(=C(C2(C)C)C(C(C3(C1C(=C)C(CC3OC(=O)C)O)C)OC(=O)C)OC(=O)C)C","Ingredient_weight": "562.77","OB_score": "27.89459113","CAS_id": "NA","SymMap_id": "SMIT00866","TCMID_id": "31229;10474","TCMSP_id": "MOL009529","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9α-hydroxy-14β-(2-methylbutyryl)-oxy-2α,5α,10β-tri acetoxytaxa-4(20),11-diene
9alpha-hydroxy-14beta-(2-methylbutyryl)oxy-2alpha,5alpha,10beta-triacetoxytaxa-4(20),11-diene
{"Ingredient_id": "HBIN014043","Ingredient_name": "9\u03b1-hydroxy-14\u03b2-(2-methylbutyryl)-oxy-2\u03b1,5\u03b1,10\u03b2-tri acetoxytaxa-4(20),11-diene","Alias": "9alpha-hydroxy-14beta-(2-methylbutyryl)oxy-2alpha,5alpha,10beta-triacetoxytaxa-4(20),11-diene","Ingredient_formula": "C31H46O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10475;31230","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2r,3r)-3-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2r,3s,4s)-2,4-dimethyl-5-oxooxolan-3-yl]-3-hydroxybutan-2-yl acetate
(2r,3r)-3-[(1s,3as,5ar,7r,8s,9ar,9br,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-[(2r,3s,4s)-2,4-dimethyl-5-oxooxolan-3-yl]-3-hydroxybutan-2-yl acetate
(1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate
(1r,3r,8s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate
(1s,2s,3s,5s,8s,10s,14s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl (2r,3s)-3-hydroxy-2-methylbutanoate
(1s,2s,3s,5s,8s,10s,14s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl (2r,3s)-3-hydroxy-2-methylbutanoate
6-(acetyloxy)-8-(butanoyloxy)-14-(1-methoxy-1-oxopropan-2-yl)-3,7,11-trimethyl-15-oxatricyclo[9.3.1.0²,⁷]pentadeca-1(14),12-dien-4-yl butanoate
6-(acetyloxy)-8-(butanoyloxy)-14-(1-methoxy-1-oxopropan-2-yl)-3,7,11-trimethyl-15-oxatricyclo[9.3.1.0²,⁷]pentadeca-1(14),12-dien-4-yl butanoate
(1r,3s,5s,6ar,7r,8r,9r,10s,10ar)-1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2r)-2-methylbutanoate
(1r,3s,5s,6ar,7r,8r,9r,10s,10ar)-1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2r)-2-methylbutanoate
(2s,3r,4s)-2-[(2r,4ar,4bs,5s,10ar,12ar)-5-hydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-4a,10a-dimethyl-6,9-dioxo-2,3,4,4b,5,11,12,12a-octahydro-1,10-dioxatetraphen-8-yl]-4-methylhexan-3-yl acetate
(2s,3r,4s)-2-[(2r,4ar,4bs,5s,10ar,12ar)-5-hydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-4a,10a-dimethyl-6,9-dioxo-2,3,4,4b,5,11,12,12a-octahydro-1,10-dioxatetraphen-8-yl]-4-methylhexan-3-yl acetate
1-(acetyloxy)-9-(butanoyloxy)-10-hydroxy-5-methoxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-3-yl butanoate
1-(acetyloxy)-9-(butanoyloxy)-10-hydroxy-5-methoxy-7,8-dimethyl-7-(3-methylpenta-2,4-dien-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-3-yl butanoate
2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate
2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl 3-hydroxy-2-methylbutanoate
(1s,2s,3s,5s,8s,10s,14s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl (2s)-3-hydroxy-2-methylbutanoate
(1s,2s,3s,5s,8s,10s,14s)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.0³,⁸]pentadec-11-en-14-yl (2s)-3-hydroxy-2-methylbutanoate
(1r,3s,5s,6ar,7s,8r,9r,10s,10as)-1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2s)-2-methylbutanoate
(1r,3s,5s,6ar,7s,8r,9r,10s,10as)-1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2s)-2-methylbutanoate
2-methoxy-3,5-dimethyl-6-[(1e,5e,7e,11e)-3,7,9,11-tetramethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-1,5,7,11-tetraen-1-yl]pyran-4-one
2-methoxy-3,5-dimethyl-6-[(1e,5e,7e,11e)-3,7,9,11-tetramethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}trideca-1,5,7,11-tetraen-1-yl]pyran-4-one
3a-hydroxy-7-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
3a-hydroxy-7-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxy]-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
(1s,3r,5r,6as,7s,8s,9s,10r,10as)-1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2r)-2-methylbutanoate
(1s,3r,5r,6as,7s,8s,9s,10r,10as)-1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl (2r)-2-methylbutanoate
1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate
1-(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-7,8-dimethyl-7-(3-methylidenepent-4-en-1-yl)-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-5-yl 2-methylbutanoate
(1s,3r,5r,6as,7s,8s,9r,10r,10as)-1-(acetyloxy)-9-(butanoyloxy)-10-hydroxy-5-methoxy-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-3-yl butanoate
(1s,3r,5r,6as,7s,8s,9r,10r,10as)-1-(acetyloxy)-9-(butanoyloxy)-10-hydroxy-5-methoxy-7,8-dimethyl-7-[(2z)-3-methylpenta-2,4-dien-1-yl]-1h,3h,5h,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-3-yl butanoate
(2r,3r)-3-[(3as,5ar,7r,9ar,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-(2,4-dimethyl-5-oxooxolan-3-yl)-3-hydroxybutan-2-yl acetate
(2r,3r)-3-[(3as,5ar,7r,9ar,11ar)-3a,7,8-trihydroxy-9a,11a-dimethyl-5-oxo-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-1-yl]-1-(2,4-dimethyl-5-oxooxolan-3-yl)-3-hydroxybutan-2-yl acetate
(1r,3as,3br,5ar,7s,9ar,9bs,11ar)-3a-hydroxy-7-{[(2r,3r,4s,5s,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
(1r,3as,3br,5ar,7s,9ar,9bs,11ar)-3a-hydroxy-7-{[(2r,3r,4s,5s,6r)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}-11a-methyl-1-(5-oxo-2h-furan-3-yl)-tetradecahydrocyclopenta[a]phenanthrene-9a-carbaldehyde
