OCHRATOXIN-A

Structure

2D structure of OCHRATOXIN-A
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 442530

Names and identifiers

Name

OCHRATOXIN-A

IUPAC name

((R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochromane-7-carbonyl)-L-phenylalanine

SMILES

C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)Cl

General information

Molecular formula

C20H18ClNO6

Molecular weight

403.82 g/mol

Monoisotopic mass

403.0823 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Triticum aestivum L. subsp. aestivum seed -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.