Chemical Formula: C33H38O9
Chemical Formula C33H38O9
Found 49 metabolite its formula value is C33H38O9
(-)-isogaudichaudiic acid B|isogaudichaudiic acid B
(-)-isogaudichaudiic acid B|isogaudichaudiic acid B
1S-acetyloxy-4S,6R-dihydroxy-9S-benzoyloxy-13-cinnamoyloxy-beta-dihydroagarofuran
1S-acetyloxy-4S,6R-dihydroxy-9S-benzoyloxy-13-cinnamoyloxy-beta-dihydroagarofuran
1alpha,6beta-diacetoxy-9beta,15-dibenzoyloxy-beta-dihydroagarofuran|fokienagarofuran B
1alpha,6beta-diacetoxy-9beta,15-dibenzoyloxy-beta-dihydroagarofuran|fokienagarofuran B
(1R,2S,3S,4S,5R,7R,9S,10R)-2-acetoxy-1-benzoyloxy-9-cis-cinnamoyloxy-3,4-dihydroxydihydro-beta-agarofuran
(1R,2S,3S,4S,5R,7R,9S,10R)-2-acetoxy-1-benzoyloxy-9-cis-cinnamoyloxy-3,4-dihydroxydihydro-beta-agarofuran
(1S,4S,5S,6R,7S,8S,9R,10S)-1-acetoxy-9-benzoyloxy-8-cinnamoyloxy-4,6-dihydroxydihydro-beta-agarofuran
(1S,4S,5S,6R,7S,8S,9R,10S)-1-acetoxy-9-benzoyloxy-8-cinnamoyloxy-4,6-dihydroxydihydro-beta-agarofuran
(-)-11,12-dihydro-12-hydroxymorellic acid|(5R,7S,10aS,27S)-11,12-dihydro-12-hydroxymorellic acid|11,12-dihydro-12-hydroxymorellic acid
(-)-11,12-dihydro-12-hydroxymorellic acid|(5R,7S,10aS,27S)-11,12-dihydro-12-hydroxymorellic acid|11,12-dihydro-12-hydroxymorellic acid
Orbiculin A
Orbiculin A
A dihydroagarofuran sesquiterpenoid that consists of dihydro-beta-agarofuran substituted by an acetoxy groups at positions 1 and 2 and benzoyloxy groups at positions 6 and 9 (the 1beta,2beta,6alpha,9alpha stereoisomer). Isolated from Celastrus orbiculatus, it exhibits inhibition of both NF-kappaB activation and nitric oxide production.
8,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
8,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(1s,2r,4s,5r,6r,7s,9r,12r)-5,12-bis(acetyloxy)-4-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,4s,5r,6r,7s,9r,12r)-5,12-bis(acetyloxy)-4-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1r,2s,3s,4r,5r,6r,7s,9r)-4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(1r,2s,3s,4r,5r,6r,7s,9r)-4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
4,5-bis(acetyloxy)-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4,5-bis(acetyloxy)-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
1β,6α-diacetoxy-8β,9β-dibenzoyloxy-β-dihydro-agarofuran
NA
{"Ingredient_id": "HBIN002373","Ingredient_name": "1\u03b2,6\u03b1-diacetoxy-8\u03b2,9\u03b2-dibenzoyloxy-\u03b2-dihydro-agarofuran","Alias": "NA","Ingredient_formula": "C33H38O9","Ingredient_Smile": "CC1CCC(C2(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C(O3)(C)C)OC(=O)C)C)OC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5291","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-{[(2z)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-{[(2z)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
(2z)-4-[(1s,2s,15s,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,15s,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(2z)-4-[(1s,2s,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
5-(acetyloxy)-2,12-dihydroxy-2,10,10-trimethyl-6-{[(3-phenylprop-2-enoyl)oxy]methyl}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
5-(acetyloxy)-2,12-dihydroxy-2,10,10-trimethyl-6-{[(3-phenylprop-2-enoyl)oxy]methyl}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,5s,6s,7s,8s,9r,12r)-8,12-bis(acetyloxy)-5-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,5s,6s,7s,8s,9r,12r)-8,12-bis(acetyloxy)-5-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1r,2s,3s,4r,5r,6r,7s,9r)-4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-{[(2z)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(1r,2s,3s,4r,5r,6r,7s,9r)-4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-{[(2z)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(2z)-4-[(1s,2s,9r,17s,19r)-9,12-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,9r,17s,19r)-9,12-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
(1s,2r,5s,6s,7s,8r,9r,12r)-5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
(1s,2r,5s,6s,7s,8r,9r,12r)-5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
methyl 2-[(1r,2s,8s,13s,14s,20s)-9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene]propanoate
methyl 2-[(1r,2s,8s,13s,14s,20s)-9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene]propanoate
methyl 2-{9-[(acetyloxy)methyl]-9,21-dihydroxy-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene}propanoate
methyl 2-{9-[(acetyloxy)methyl]-9,21-dihydroxy-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene}propanoate
methyl 2-{9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene}propanoate
methyl 2-{9-[(acetyloxy)methyl]-21-hydroxy-5-(hydroxymethyl)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene}propanoate
(1s,2r,4s,5r,6r,7s,9r,12r)-4,5-bis(acetyloxy)-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,4s,5r,6r,7s,9r,12r)-4,5-bis(acetyloxy)-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(2z)-4-[(1s,2s,15r,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
(2z)-4-[(1s,2s,15r,16s,17s,19r)-12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
4-(acetyloxy)-2,3-dihydroxy-2,6,10,10-tetramethyl-7-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(2e)-4-[(1s,2s,13s,15r)-6,8-dihydroxy-5-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-17,17-dimethyl-7-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enoic acid
(2e)-4-[(1s,2s,13s,15r)-6,8-dihydroxy-5-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-17,17-dimethyl-7-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enoic acid
methyl 2-[(1s,2s,8r,9s,10s,12r,13s,14s,17s,19r,20s,21r,23z)-9-[(acetyloxy)methyl]-9,21-dihydroxy-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene]propanoate
methyl 2-[(1s,2s,8r,9s,10s,12r,13s,14s,17s,19r,20s,21r,23z)-9-[(acetyloxy)methyl]-9,21-dihydroxy-5,13,20-trimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.0²,⁶.0²,¹⁴.0⁸,¹³.0¹⁰,¹².0¹⁷,¹⁹.0²⁰,²⁴]tetracosa-5,16(24)-dien-23-ylidene]propanoate
4-[6,8-dihydroxy-5-(2-hydroxy-3-methylbut-3-en-1-yl)-17,17-dimethyl-7-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enoic acid
4-[6,8-dihydroxy-5-(2-hydroxy-3-methylbut-3-en-1-yl)-17,17-dimethyl-7-(3-methylbut-2-en-1-yl)-10,14-dioxo-3,16-dioxapentacyclo[11.4.1.0²,¹¹.0²,¹⁵.0⁴,⁹]octadeca-4(9),5,7,11-tetraen-15-yl]-2-methylbut-2-enoic acid
(1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
(1r,2s,3s,4s,5r,6r,7s,9r)-3-(acetyloxy)-2,4-dihydroxy-2,6,10,10-tetramethyl-7-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-5-yl benzoate
5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-[(3-phenylprop-2-enoyl)oxy]-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2s,5s,6s,7r,8s,9s,12r)-5-(acetyloxy)-2,12-dihydroxy-2,6,10,10-tetramethyl-8-{[(2e)-3-phenylprop-2-enoyl]oxy}-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4-[9,12-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
4-[9,12-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
(1s,2r,5s,6s,7s,8r,9r,12r)-8,12-bis(acetyloxy)-5-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,5s,6s,7s,8r,9r,12r)-8,12-bis(acetyloxy)-5-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2r,6s,9r,12r)-5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
(1s,2r,6s,9r,12r)-5,12-bis(acetyloxy)-7-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-8-yl benzoate
(1s,2s,5s,6s,7s,9r,12r)-5-(acetyloxy)-2,12-dihydroxy-2,10,10-trimethyl-6-({[(2e)-3-phenylprop-2-enoyl]oxy}methyl)-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
(1s,2s,5s,6s,7s,9r,12r)-5-(acetyloxy)-2,12-dihydroxy-2,10,10-trimethyl-6-({[(2e)-3-phenylprop-2-enoyl]oxy}methyl)-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
4-[12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid
4-[12,16-dihydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid