versiconal hemiacetal acetate (CHEBI:71637)

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ChEBI Name	versiconal hemiacetal acetate

ChEBI ID	CHEBI:71637

Definition	An anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 2-acetoxyethyl group. An intermediate in the biosynthesis of aflatoxin.

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

Submitter	KAX

Supplier Information

Download	Molfile XML SDF

Formula

C20H16O9

Net Charge

Average Mass

400.33560

Monoisotopic Mass

400.07943

InChI

InChI=1S/C20H16O9/c1-7(21)28-3-2-9-15-13(29-20(9)27)6-11-16(19(15)26)18(25)14-10(17(11)24)4-8(22)5-12(14)23/h4-6,9,20,22-23,26-27H,2-3H2,1H3

InChIKey

DYJNRRXQVSJBAA-UHFFFAOYSA-N

SMILES

CC(=O)OCCC1C(O)Oc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	versiconal hemiacetal acetate (CHEBI:71637) has role metabolite (CHEBI:25212) versiconal hemiacetal acetate (CHEBI:71637) is a acetate ester (CHEBI:47622) versiconal hemiacetal acetate (CHEBI:71637) is a anthrafuran (CHEBI:71652) versiconal hemiacetal acetate (CHEBI:71637) is a lactol (CHEBI:38131) versiconal hemiacetal acetate (CHEBI:71637) is a palmitoyl amino acid (CHEBI:25838) versiconal hemiacetal acetate (CHEBI:71637) is a polyphenol (CHEBI:26195)

Incoming	(2S,3S)-versiconal hemiacetal acetate (CHEBI:72671) is a versiconal hemiacetal acetate (CHEBI:71637)

IUPAC Name

2-(2,4,6,8-tetrahydroxy-5,10-dioxo-2,3,5,10-tetrahydroanthra[2,3-b]furan-3-yl)ethyl acetate

Synonyms	Sources
3-(2-(Acetyloxy)ethyl)-2,3-dihydro-2,4,6,8-tetrahydroxyanthra(2,3-b)furan-5,10-dione	ChemIDplus
versiconal hemiacetal acetate	UniProt

Last Modified

06 June 2016