Chemical Formula: C37H46O14
Chemical Formula C37H46O14
Found 47 metabolite its formula value is C37H46O14
5,7,2,4-Tetrahydroxy-6,3-diprenylisoflavone 5-O-(4-rhamnosylrhamnoside)
5,7,2,4-Tetrahydroxy-6,3-diprenylisoflavone 5-O-(4-rhamnosylrhamnoside)
(2S*,3S*,4R*,5R*,6S*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14-triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-15-hydroxy-9-oxo-segetane
(2S*,3S*,4R*,5R*,6S*,8R*,11S*,12S*,13R*,14R*,15R*)-6,11,14-triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-15-hydroxy-9-oxo-segetane
(2R*,3R*,6S*,7R*,8R*,9S*,13S*,15R*)-6,7,8,9,15-pentaacetoxy-3-benzoyloxy-2-hydroxy-14-oxojatropha-4E,11E-diene
(2R*,3R*,6S*,7R*,8R*,9S*,13S*,15R*)-6,7,8,9,15-pentaacetoxy-3-benzoyloxy-2-hydroxy-14-oxojatropha-4E,11E-diene
(10E)-rel-(2R,3S,3aR,4R,6S,7S,8S,12S,13aR)-3,6,7,8,13a-pentaacetoxy-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2-hydroxy-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1H-cyclopentacyclododecen-4-yl|altotibetin C
(10E)-rel-(2R,3S,3aR,4R,6S,7S,8S,12S,13aR)-3,6,7,8,13a-pentaacetoxy-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2-hydroxy-2,9,9,12-tetramethyl-5-methylidene-13-oxo-1H-cyclopentacyclododecen-4-yl|altotibetin C
(2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-15-hydroxy-9-oxo-segetane|paralinone A|Segetene 4
(2S*,3S*,4R*,5R*,6R*,8R*,12S*,13R*,14R*,15R*)-6,14,17-triacetoxy-5-(2-acetoxyacetoxy)-3-benzoyloxy-15-hydroxy-9-oxo-segetane|paralinone A|Segetene 4
C37H46O14_(1S,2R,3R,4S,5S,7R,8R,9S,10S,14R)-1,8,16-Triacetoxy-2-(2-acetoxyacetoxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0~3,7~.0~10,14~]hexadec-4-yl benzoate
NCGC00385467-01_C37H46O14_(1S,2R,3R,4S,5S,7R,8R,9S,10S,14R)-1,8,16-Triacetoxy-2-(2-acetoxyacetoxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0~3,7~.0~10,14~]hexadec-4-yl benzoate
(5beta,7alpha,9alpha,10alpha,13alpha)-4,7,9,10,13-Pentakis(acetyloxy)-1-hydroxy-5,20-epoxytax-11-en-2-yl benzoate
(5beta,7alpha,9alpha,10alpha,13alpha)-4,7,9,10,13-Pentakis(acetyloxy)-1-hydroxy-5,20-epoxytax-11-en-2-yl benzoate
(1s,2r,3r,4s,5s,7r,8r,9r,10s,14r,16r)-1,8,16-tris(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
(1s,2r,3r,4s,5s,7r,8r,9r,10s,14r,16r)-1,8,16-tris(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
2,8,10,12,15-pentakis(acetyloxy)-6-hydroxy-3,7,13-trimethyl-9-(prop-1-en-2-yl)-14-oxatetracyclo[11.1.1.0¹,⁵.0⁶,¹¹]pentadecan-9-yl benzoate
2,8,10,12,15-pentakis(acetyloxy)-6-hydroxy-3,7,13-trimethyl-9-(prop-1-en-2-yl)-14-oxatetracyclo[11.1.1.0¹,⁵.0⁶,¹¹]pentadecan-9-yl benzoate
13-acetyl-13-decinnamoyltaxchinin b
13-acetyl-13-decinnamoyl-taxchinin b
{"Ingredient_id": "HBIN001124","Ingredient_name": "13-acetyl-13-decinnamoyltaxchinin b","Alias": "13-acetyl-13-decinnamoyl-taxchinin b","Ingredient_formula": "C37H46O14","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C2(CC1OC(=O)C)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C5=CC=CC=C5","Ingredient_weight": "714.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "369;26104","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101916315","DrugBank_id": "NA"}
baccatin vi
NA
{"Ingredient_id": "HBIN017486","Ingredient_name": "baccatin vi","Alias": "NA","Ingredient_formula": "C37H46O14","Ingredient_Smile": "CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","Ingredient_weight": "714.8 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2077","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "138113828","DrugBank_id": "NA"}
2-[4,7,8,10,13-pentakis(acetyloxy)-12-hydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadec-5-en-2-yl]propan-2-yl benzoate
2-[4,7,8,10,13-pentakis(acetyloxy)-12-hydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadec-5-en-2-yl]propan-2-yl benzoate
1,8,16-tris(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
1,8,16-tris(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
(1r,2r,3r,4s,5s,7r,8r,9r,11s,16s)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
(1r,2r,3r,4s,5s,7r,8r,9r,11s,16s)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
(1s,3s,4s,7s,10s)-4,9,11,12,15-pentakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
(1s,3s,4s,7s,10s)-4,9,11,12,15-pentakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
(3r,4ar,12br)-3,4a,8-trihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-12b-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
(3r,4ar,12br)-3,4a,8-trihydroxy-9-[(2r,4r,5r,6r)-5-hydroxy-4-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]-12b-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
(1ar,3s,3ar,4r,5r,6r,7as)-6-[(3ar,4r,5s,9as)-5-(acetyloxy)-4,9a-dimethyl-2,7-dioxo-tetrahydro-3h-furo[2,3-c]oxocin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl (2r,3r)-2-(acetyloxy)-3-methylpentanoate
(1ar,3s,3ar,4r,5r,6r,7as)-6-[(3ar,4r,5s,9as)-5-(acetyloxy)-4,9a-dimethyl-2,7-dioxo-tetrahydro-3h-furo[2,3-c]oxocin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl (2r,3r)-2-(acetyloxy)-3-methylpentanoate
(1s,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16s)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
(1s,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16s)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5-{[(2s,3s,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-6-(3-methylbut-2-en-1-yl)chromen-4-one
3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5-{[(2s,3s,4s,5r,6s)-3,4-dihydroxy-6-methyl-5-{[(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-7-hydroxy-6-(3-methylbut-2-en-1-yl)chromen-4-one
(1s,2s,3as,5r,9r,10s,11s,12r)-3a,9,10,11,12-pentakis(acetyloxy)-2-hydroxy-2,5,8,8,12-pentamethyl-4-oxo-1h,3h,5h,9h,10h,11h-cyclopenta[12]annulen-1-yl benzoate
(1s,2s,3as,5r,9r,10s,11s,12r)-3a,9,10,11,12-pentakis(acetyloxy)-2-hydroxy-2,5,8,8,12-pentamethyl-4-oxo-1h,3h,5h,9h,10h,11h-cyclopenta[12]annulen-1-yl benzoate
methyl 2-[(1r,2s,3z,6r,7r,10s,12s,14r,15r,16s,17r,18s,19s,20r)-18,20-bis(acetyloxy)-6-(furan-3-yl)-19-hydroxy-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁴,¹⁷.0¹,¹⁰.0²,⁷.0¹⁰,¹⁵.0¹⁴,¹⁹]docosan-16-yl]acetate
methyl 2-[(1r,2s,3z,6r,7r,10s,12s,14r,15r,16s,17r,18s,19s,20r)-18,20-bis(acetyloxy)-6-(furan-3-yl)-19-hydroxy-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁴,¹⁷.0¹,¹⁰.0²,⁷.0¹⁰,¹⁵.0¹⁴,¹⁹]docosan-16-yl]acetate
(1r,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16r)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
(1r,2r,3r,4s,5s,7r,8r,9r,10s,11s,14r,16r)-1,2,8,11,16-pentakis(acetyloxy)-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
2-[(1s,2s,4s,7r,8r,9s,10s,12s,13s,16r)-4,7,8,10,13-pentakis(acetyloxy)-12-hydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadec-5-en-2-yl]propan-2-yl benzoate
2-[(1s,2s,4s,7r,8r,9s,10s,12s,13s,16r)-4,7,8,10,13-pentakis(acetyloxy)-12-hydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadec-5-en-2-yl]propan-2-yl benzoate
3a,9,10,11,12-pentakis(acetyloxy)-2-hydroxy-2,5,8,8,12-pentamethyl-4-oxo-1h,3h,5h,9h,10h,11h-cyclopenta[12]annulen-1-yl benzoate
3a,9,10,11,12-pentakis(acetyloxy)-2-hydroxy-2,5,8,8,12-pentamethyl-4-oxo-1h,3h,5h,9h,10h,11h-cyclopenta[12]annulen-1-yl benzoate
2,5,9,11,16-pentakis(acetyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
2,5,9,11,16-pentakis(acetyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
[(1s,2s,5s,6s,7s,9r,12r)-12-(acetyloxy)-5-{[2-(acetyloxy)acetyl]oxy}-6-[(acetyloxy)methyl]-2-hydroxy-2,10-dimethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-10-yl]methyl (2e)-2-methylbut-2-enoate
[(1s,2s,5s,6s,7s,9r,12r)-12-(acetyloxy)-5-{[2-(acetyloxy)acetyl]oxy}-6-[(acetyloxy)methyl]-2-hydroxy-2,10-dimethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-10-yl]methyl (2e)-2-methylbut-2-enoate
methyl 2-[(1r,2s,3e,6r,7r,10s,12s,14r,15r,16s,17r,18s,19s,20r)-18,20-bis(acetyloxy)-6-(furan-3-yl)-19-hydroxy-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁴,¹⁷.0¹,¹⁰.0²,⁷.0¹⁰,¹⁵.0¹⁴,¹⁹]docosan-16-yl]acetate
methyl 2-[(1r,2s,3e,6r,7r,10s,12s,14r,15r,16s,17r,18s,19s,20r)-18,20-bis(acetyloxy)-6-(furan-3-yl)-19-hydroxy-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁴,¹⁷.0¹,¹⁰.0²,⁷.0¹⁰,¹⁵.0¹⁴,¹⁹]docosan-16-yl]acetate
(1r,2r,3r,4s,5s,7r,8r,9r,10s,14r,16r)-1,8,16-tris(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
(1r,2r,3r,4s,5s,7r,8r,9r,10s,14r,16r)-1,8,16-tris(acetyloxy)-2-{[2-(acetyloxy)acetyl]oxy}-7-hydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0³,⁷.0¹⁰,¹⁴]hexadecan-4-yl benzoate
methyl 2-[18,20-bis(acetyloxy)-6-(furan-3-yl)-19-hydroxy-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁴,¹⁷.0¹,¹⁰.0²,⁷.0¹⁰,¹⁵.0¹⁴,¹⁹]docosan-16-yl]acetate
methyl 2-[18,20-bis(acetyloxy)-6-(furan-3-yl)-19-hydroxy-3-(1-hydroxy-2-methylpropylidene)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.1¹⁴,¹⁷.0¹,¹⁰.0²,⁷.0¹⁰,¹⁵.0¹⁴,¹⁹]docosan-16-yl]acetate
(1r,2s,3s,5s,8r,9r,10s,11s,13r,16s)-2,5,9,11,16-pentakis(acetyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
(1r,2s,3s,5s,8r,9r,10s,11s,13r,16s)-2,5,9,11,16-pentakis(acetyloxy)-3-(2-hydroxypropan-2-yl)-6,10-dimethyl-14-oxatetracyclo[8.6.0.0³,⁷.0¹³,¹⁶]hexadec-6-en-8-yl benzoate
(1s,2s,3r,4s,7r,9s,10s,11r,12r,15s)-4,9,11,12,15-pentakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
(1s,2s,3r,4s,7r,9s,10s,11r,12r,15s)-4,9,11,12,15-pentakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
3,4a,8-trihydroxy-9-{5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}-12b-[(5-hydroxy-6-methyloxan-2-yl)oxy]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
3,4a,8-trihydroxy-9-{5-hydroxy-4-[(5-hydroxy-6-methyloxan-2-yl)oxy]-6-methyloxan-2-yl}-12b-[(5-hydroxy-6-methyloxan-2-yl)oxy]-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
6-[5-(acetyloxy)-4,9a-dimethyl-2,7-dioxo-tetrahydro-3h-furo[2,3-c]oxocin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl 2-(acetyloxy)-3-methylpentanoate
6-[5-(acetyloxy)-4,9a-dimethyl-2,7-dioxo-tetrahydro-3h-furo[2,3-c]oxocin-4-yl]-5-(formyloxy)-3-(furan-3-yl)-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-4-yl 2-(acetyloxy)-3-methylpentanoate
(1r,2s,3s,5s,6r,7r,8s,9s,10r,11s,12s,13r,15r)-2,8,10,12,15-pentakis(acetyloxy)-6-hydroxy-3,7,13-trimethyl-9-(prop-1-en-2-yl)-14-oxatetracyclo[11.1.1.0¹,⁵.0⁶,¹¹]pentadecan-9-yl benzoate
(1r,2s,3s,5s,6r,7r,8s,9s,10r,11s,12s,13r,15r)-2,8,10,12,15-pentakis(acetyloxy)-6-hydroxy-3,7,13-trimethyl-9-(prop-1-en-2-yl)-14-oxatetracyclo[11.1.1.0¹,⁵.0⁶,¹¹]pentadecan-9-yl benzoate
(1s,2s,3r,4s,7r,9s,10s,11s,12r,15s)-4,9,11,12,15-pentakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
(1s,2s,3r,4s,7r,9s,10s,11s,12r,15s)-4,9,11,12,15-pentakis(acetyloxy)-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
2-[(1s,2s,7r,8r,9s,10s,12s,13s,16r)-4,7,8,10,13-pentakis(acetyloxy)-12-hydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadec-4-en-2-yl]propan-2-yl benzoate
2-[(1s,2s,7r,8r,9s,10s,12s,13s,16r)-4,7,8,10,13-pentakis(acetyloxy)-12-hydroxy-5,9-dimethyl-15-oxatetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadec-4-en-2-yl]propan-2-yl benzoate