3,4-Dicaffeoylquinic acid
Molecular Formula:
C25H24O12
InChI: InChI=1/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20?,23-,25-/m1/s1/f/h33H
InChIKey: InChIKey=UFCLZKMFXSILNL-LPKDTXCZDG
SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O
Names:
NSC649410
(1R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxy-cyclohexane-1-carboxylic acid
14534-61-3
3,4-Dicaffeoylquinic acid
Registries:
PubChem CID 5459216
PubChem ID 8142317
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