Isochlorogenic acid
Molecular Formula:
C16H18O9
InChI: InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/f/h22H
InChIKey: InChIKey=CWVRJTMFETXNAD-UMKDXSTKDA
SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
Names:
Isochlorogenic acid
NSC407297
3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid
Registries:
PubChem CID 5315832
PubChem ID 8141742
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