4-CAFFEOYLQUINIC-ACID
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 12305664
Name
4-CAFFEOYLQUINIC-ACID
IUPAC name
(3S,5S)-4-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,3,5-trihydroxycyclohexane-1-carboxylic acid
SMILES
C1[C@@H](C([C@H](CC1(C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O
Molecular formula
C16H18O9
Molecular weight
354.31 g/mol
Monoisotopic mass
354.0951 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Betonica officinalis L. | - | - |
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.
|