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Chemical structure of 4-Hydroxyalternariol

GC18858

4-Hydroxyalternariol

Also listed as 4-hydroxy Alternariol

4-hydroxy Alternariol is a metabolite of the mycotoxin alternariol formed through cytochrome P450 (CYP450) metabolism

ChemicalCAS959417-21-1MW274.2FormulaC14H10O6
CAS number
959417-21-1
Molecular weight
274.2
Formula
C14H10O6
Solubility
DMF： Soluble,DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
LZRNPNMGYBWDKK-UHFFFAOYSA-N
Catalogue number
GC18858
Brand
GLPBIO
Computed properties PubChem CID 118797633 · XLogP 2.5 · TPSA 107 Ų · H-bond donors 4
XLogP
2.5
TPSA
107 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
0
Heavy atoms
20

SMILES CC1=CC(=C(C2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O)O

Computed descriptors from PubChem (CID 118797633), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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