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CHEBI:71656 - versicolorone tetracyclic form

ChEBI IDCHEBI:71656
ChEBI Nameversicolorone tetracyclic form
Stars
DefinitionThe tetracyclic anthrafuran form of versicolorone.
Last Modified14 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H16O7
Net Charge0
Average Mass368.341
Monoisotopic Mass368.08960
SMILESCC(=O)CCC1COc2cc3c(c(O)c21)C(=O)c1c(O)cc(O)cc1C3=O
InChIInChI=1S/C20H16O7/c1-8(21)2-3-9-7-27-14-6-12-17(19(25)15(9)14)20(26)16-11(18(12)24)4-10(22)5-13(16)23/h4-6,9,22-23,25H,2-3,7H2,1H3
InChIKeyXDLBESHDJXFECS-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 tetracyclic form (CHEBI:71656) is a p-quinones (CHEBI:25830)
versicolorone tetracyclic form (CHEBI:71656) is a anthrafuran (CHEBI:71652)
versicolorone tetracyclic form (CHEBI:71656) is a versicolorone (CHEBI:71654)
IUPAC Name 
4,6,8-trihydroxy-3-(3-oxobutyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione
Synonyms  Source
versicoloroneChEBI
versicolorone tetracyclic formChEBI
Registry NumbersSources
Reaxys:5152728Reaxys
CAS:84062-31-7ChemIDplus
Citations