Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L9W3RP
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| Ligand Name |
Amorfrutin B
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| Synonyms |
Amorfrutin B; 78916-42-4; CHEMBL2337127; 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid; 3-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)-benzoicacid; Amorfrutin 4; SCHEMBL10039861; Amorfrutin B, >=85% (NMR); BDBM50428826; ZINC13358271; Q27467732
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| Structure |
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Download2D MOL |
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| Formula |
C26H32O4
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| Canonical SMILES |
CC(=CCCC(=CCC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)OC)C)C
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| InChI |
1S/C26H32O4/c1-18(2)9-8-10-19(3)13-16-22-23(30-4)17-21(24(25(22)27)26(28)29)15-14-20-11-6-5-7-12-20/h5-7,9,11-13,17,27H,8,10,14-16H2,1-4H3,(H,28,29)/b19-13+
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| InChIKey |
DKNIJLWIVUCTHW-CPNJWEJPSA-N
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| PubChem Compound ID | ||||
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