Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LL13VG
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| Ligand Name |
3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
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| Synonyms |
3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid; CHEMBL1235122; DB08366; Q27097581; 2,4-Dihydroxy-3-[3-[(1S,8abeta)-3,8-dimethyl-7-oxo-1alpha,3alpha,4aalpha-[1,2,3]propanetriyloctahydro-1H-2-benzopyran-8beta-yl]propionylamino]benzoic acid; P9A
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| Structure |
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Download2D MOL |
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| Formula |
C24H29NO7
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| Canonical SMILES |
CC12CC34CCC(=O)C(C3C(O1)CC2C4)(C)CCC(=O)NC5=C(C=CC(=C5O)C(=O)O)O
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| InChI |
1S/C24H29NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-4,12,15,20,26,29H,5-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1
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| InChIKey |
XADCWKSMHQPTGH-OFBLZTNGSA-N
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| PubChem Compound ID | ||||
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