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CHEBI:71638 - versiconal hemiacetal

ChEBI IDCHEBI:71638
ChEBI Nameversiconal hemiacetal
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-hydroxyethyl group. An intermediate in the biosynthesis of aflatoxin.
Last Modified10 December 2024
SubmitterKAX
DownloadsMolfile
FormulaC18H14O8
Net Charge0
Average Mass358.302
Monoisotopic Mass358.06887
SMILESO=C1c2cc(O)cc(O)c2C(=O)c2c1cc1c(c2O)C(CCO)C(O)O1
InChIInChI=1S/C18H14O8/c19-2-1-7-13-11(26-18(7)25)5-9-14(17(13)24)16(23)12-8(15(9)22)3-6(20)4-10(12)21/h3-5,7,18-21,24-25H,1-2H2
InChIKeyCMMJVRKBQZHKPV-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 (CHEBI:71638) is a anthrafuran (CHEBI:71652)
versiconal hemiacetal (CHEBI:71638) is a lactol (CHEBI:38131)
versiconal hemiacetal (CHEBI:71638) is a versiconal (CHEBI:71662)
Incoming Relation(s)
(2S-3S)-versiconal hemiacetal (CHEBI:72672) is a versiconal hemiacetal (CHEBI:71638)
IUPAC Name 
2,4,6,8-tetrahydroxy-3-(2-hydroxyethyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione
Synonyms  Source
versiconal anthrafuran formChEBI
versiconal hemiacetal formChEBI
Manual XrefsDatabases
CPD-10171MetaCyc
Citations