ACONITIC-ACID

Structure

2D structure of ACONITIC-ACID
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 309

Names and identifiers

Name

ACONITIC-ACID

IUPAC name

(Z)-prop-1-ene-1,2,3-tricarboxylic acid

SMILES

C(C(=CC(=O)O)C(=O)O)C(=O)O

General information

Molecular formula

C6H6O6

Molecular weight

174.11 g/mol

Monoisotopic mass

174.0164 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Achillea millefolium L. subsp. millefolium - -
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.
Equisetum arvense L. - -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.