Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L8REF5
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| Ligand Name |
Bigelovin
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| Synonyms |
Bigelovin; 3668-14-2; CHEBI:69337; [(3aS,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate; (3ar,4s,4ar,7ar,8r,9as)-4a,8-Dimethyl-3-Methylidene-2,5-Dioxo-2,3,3a,4,4a,5,7a,8,9,9a-Decahydroazuleno[6,5-B]furan-4-Yl Acetate; 3ozj; 6-O-acetylmexicanin; CHEMBL486997; DTXSID80190130; HY-116506; CS-0065662; F82266; Q27137678; 6alpha,8alpha-dihydroxy-4-oxo-ambrosa-2,11(13)-dien-12-oic acid-12,8-lactone acetate; Ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8alpha-dihydroxy-4-oxo-, 12,8-lactone, acetate
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| Structure |
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Download2D MOL |
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| Formula |
C17H20O5
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| Canonical SMILES |
CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2
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| InChI |
1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1
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| InChIKey |
DCNRYQODUSSOKC-MMLVVLEOSA-N
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| PubChem Compound ID | ||||
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