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CHEBI:71639 - versiconol

Default Structure
ChEBI IDCHEBI:71639
ChEBI Nameversiconol
Stars
DefinitionA polyphenol that is 9,10-anthraquinone substituted at positions 1, 3, 6 and 8 by hydroxy groups and at position 2 by a 1,4-dihydroxybutan-2-yl group.
Last Modified10 December 2024
SubmitterKAX
DownloadsMolfile
FormulaC18H16O8
Net Charge0
Average Mass360.318
Monoisotopic Mass360.08452
SMILESO=C1c2cc(O)cc(O)c2C(=O)c2c1cc(O)c(C(CO)CCO)c2O
InChIInChI=1S/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2
InChIKeyZLIRCPWCWHTYNP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus parasiticus (ncbitaxon:5067) - PubMed (15184162)
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
versiconol (CHEBI:71639) has role Aspergillus metabolite (CHEBI:76956)
versiconol (CHEBI:71639) is a polyphenol (CHEBI:26195)
versiconol (CHEBI:71639) is a tetrahydroxyanthraquinone (CHEBI:37496)
Incoming Relation(s)
(S)-versiconol (CHEBI:71665) is a versiconol (CHEBI:71639)
IUPAC Name 
2-(1,4-dihydroxybutan-2-yl)-1,3,6,8-tetrahydroxy-9,10-anthraquinone
Manual XrefsDatabases
CPD-10174MetaCyc
Registry NumbersSources
Reaxys:2065759Reaxys
Citations