nigellic acid
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IUPAC Name :(2Z,4E)-5-[1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate
InChI :InChI=1/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/p-1/b5-4+,10-6-
Std.InChI: InChI=1S/C15H20O5/c1-10(6-13(18)19)4-5-15(20)11(9-16)7-12(17)8-14(15,2)3/h4-7,16,20H,8-9H2,1-3H3,(H,18,19)/p-1/b5-4+,10-6-
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InChIKey :ZGHRCSAIMSBFLK-KWHVSHTLBZ
Std.InChIKey: ZGHRCSAIMSBFLK-IGTFLHFFSA-M
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SMILES :C/C(=C/C(=O)[O-])/C=C/C1(C(=CC(=O)CC1(C)C)CO)O