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CHEBI:71637 - versiconal hemiacetal acetate

ChEBI IDCHEBI:71637
ChEBI Nameversiconal hemiacetal acetate
Stars
DefinitionAn 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.
Last Modified10 December 2024
SubmitterKAX
DownloadsMolfile
FormulaC20H16O9
Net Charge0
Average Mass400.339
Monoisotopic Mass400.07943
SMILESCC(=O)OCCC1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)OC1O
InChIInChI=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
InChIKeyDYJNRRXQVSJBAA-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
(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
Synonym  Source
3-(2-(Acetyloxy)ethyl)-2,3-dihydro-2,4,6,8-tetrahydroxyanthra(2,3-b)furan-5,10-dioneChemIDplus
Manual XrefsDatabases
CPD-10170MetaCyc
Registry NumbersSources
Reaxys:1334471Reaxys
CAS:62886-00-4ChemIDplus
Citations