CIS-CHLOROGENIC-ACID
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 1794425
Name
CIS-CHLOROGENIC-ACID
IUPAC name
(1S,3R,4R,5R)-3-(((Z)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexane-1-carboxylic acid
SMILES
C1[C@H]([C@H]([C@@H](C[C@@]1(C(=O)O)O)OC(=O)/C=C\C2=CC(=C(C=C2)O)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 |
|---|---|---|---|
| Pyrus communis L. subsp. pyraster (L.) Ehrh. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|