versiconol acetate (CHEBI:71657)

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ChEBI Name	versiconol acetate

ChEBI ID	CHEBI:71657

Definition	An acetate ester that is the O-acetyl derivative of versiconol. An intermediate in the biosynthesis of aflatoxin.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C20H18O9

Net Charge

Average Mass

402.352

Monoisotopic Mass

402.09508

InChI

InChI=1S/C20H18O9/c1-8(22)29-3-2-9(7-21)15-14(25)6-12-17(19(15)27)20(28)16-11(18(12)26)4-10(23)5-13(16)24/h4-6,9,21,23-25,27H,2-3,7H2,1H3

InChIKey

BWYUKBCRHDFWFF-UHFFFAOYSA-N

SMILES

C1(=CC(=CC2=C1C(C3=C(C(=C(C=C3C2=O)O)C(CO)CCOC(C)=O)O)=O)O)O

Metabolite of Species	Details
Aspergillus parasiticus (NCBI:txid5067)	See: PubMed

Roles Classification
Biological Role(s):	Aspergillus metabolite Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .

ChEBI Ontology
Outgoing	versiconol acetate (CHEBI:71657) has role Aspergillus metabolite (CHEBI:76956) versiconol acetate (CHEBI:71657) is a acetate ester (CHEBI:47622) versiconol acetate (CHEBI:71657) is a polyphenol (CHEBI:26195) versiconol acetate (CHEBI:71657) is a tetrahydroxyanthraquinone (CHEBI:37496) versiconol acetate (CHEBI:71657) is conjugate acid of versiconol acetate(1−) (CHEBI:71636)

Incoming	(3S)-versiconol acetate (CHEBI:72681) is a versiconol acetate (CHEBI:71657) versiconol acetate(1−) (CHEBI:71636) is conjugate base of versiconol acetate (CHEBI:71657)

IUPAC Name

4-hydroxy-3-(1,3,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butyl acetate

Last Modified

14 June 2016