Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L1IO6N
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| Ligand Name |
(5aS,6R,9S,9aS)-9-hydroxy-9-methyl-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
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| Structure |
 |
Download2D MOL |
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| Formula |
C15H22O5
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| Canonical SMILES |
CC(C)C1CCC(C2C1C=C(COC2=O)C(=O)O)(C)O
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| InChI |
1S/C15H22O5/c1-8(2)10-4-5-15(3,19)12-11(10)6-9(13(16)17)7-20-14(12)18/h6,8,10-12,19H,4-5,7H2,1-3H3,(H,16,17)/t10-,11-,12-,15+/m1/s1
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| InChIKey |
TVCGWSMBKPHYFK-BLTAXRJOSA-N
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| PubChem Compound ID | ||||
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