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CHEBI:71653 - versicolorone tricyclic form

Default Structure
ChEBI IDCHEBI:71653
ChEBI Nameversicolorone tricyclic form
Stars
DefinitionThe tricyclic anthraquinone form of versicolorone.
Last Modified14 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESCC(=O)CCC(CO)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O
InChIInChI=1S/C20H18O8/c1-8(22)2-3-9(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
InChIKeyHORUZDQRRJSTED-UHFFFAOYSA-N
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
versicolorone tricyclic form (CHEBI:71653) is a tetrahydroxyanthraquinone (CHEBI:37496)
versicolorone tricyclic form (CHEBI:71653) is a versicolorone (CHEBI:71654)
versicolorone tricyclic form (CHEBI:71653) is conjugate acid of versicolorone(1−) (CHEBI:71635)
Incoming Relation(s)
(2S)-versicolorone (CHEBI:72707) is a versicolorone tricyclic form (CHEBI:71653)
versicolorone(1−) (CHEBI:71635) is conjugate base of versicolorone tricyclic form (CHEBI:71653)
IUPAC Name 
1,3,6,8-tetrahydroxy-2-(1-hydroxy-5-oxohexan-2-yl)-9,10-anthraquinone
Synonyms  Source
versicoloroneChEBI
versicolorone anthraquinone formChEBI
Manual XrefsDatabases
CPD-10169MetaCyc
Citations