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CHEBI:72707 - (2S)-versicolorone

Default Structure
ChEBI IDCHEBI:72707
ChEBI Name(2S)-versicolorone
Stars
ASCII Name(2S)-versicolorone
DefinitionAn optically active form of tricyclic versicolorone having S-configuration.
Last Modified29 April 2013
SubmitterSteve
DownloadsMolfile
FormulaC20H18O8
Net Charge0
Average Mass386.356
Monoisotopic Mass386.10017
SMILESCC(=O)CC[C@H](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/t9-/m1/s1
InChIKeyHORUZDQRRJSTED-SECBINFHSA-N
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
(2S)-versicolorone (CHEBI:72707) is a versicolorone tricyclic form (CHEBI:71653)
(2S)-versicolorone (CHEBI:72707) is conjugate acid of (2S)-versicolorone(1−) (CHEBI:73281)
Incoming Relation(s)
(2S)-versicolorone(1−) (CHEBI:73281) is conjugate base of (2S)-versicolorone (CHEBI:72707)
IUPAC Name 
1,3,6,8-tetrahydroxy-2-[(2S)-1-hydroxy-5-oxohexan-2-yl]-9,10-anthraquinone
Synonyms  Source
(2S)-versicolorone anthraquinone formChEBI
(2S)-versicolorone tricyclic formChEBI