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Chemical structure of Citrinin

GC16661

Citrinin

Also known as (3R,4S)-6-hydroxy-3,4,5-trimethyl-8-oxo-3,4-dihydroisochromene-7-carboxylic acid

Citrinin is a mycotoxin with multiple biological activities produced by several fungal strains of the genera Penicillium, Aspergillus, and Monascus

ChemicalCAS518-75-2MW250.3FormulaC13H14O5
CAS number
518-75-2
Molecular weight
250.3
Formula
C13H14O5
Solubility
≤2mg/ml in ethanol;20mg/ml in DMSO;20mg/ml in dimethyl formamide
InChIKey
CBGDIJWINPWWJW-IYSWYEEDSA-N
Catalogue number
GC16661
Brand
GLPBIO
Computed properties PubChem CID 54680783 · XLogP 1.7 · TPSA 83.8 Ų · H-bond donors 2
XLogP
1.7
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
18

SMILES C[C@@H]1[C@H](OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C

Computed descriptors from PubChem (CID 54680783), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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