EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71665 - (S)-versiconol

Default Structure
ChEBI IDCHEBI:71665
ChEBI Name(S)-versiconol
Stars
ASCII Name(S)-versiconol
DefinitionAn optically active form of versiconol having S-configuration.
Last Modified24 June 2014
SubmitterSteve
DownloadsMolfile
FormulaC18H16O8
Net Charge0
Average Mass360.318
Monoisotopic Mass360.08452
SMILESO=C1c2cc(O)cc(O)c2C(=O)c2c1cc(O)c([C@@H](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/t7-/m1/s1
InChIKeyZLIRCPWCWHTYNP-SSDOTTSWSA-N
Roles Classification
Biological Role:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
(S)-versiconol (CHEBI:71665) is a versiconol (CHEBI:71639)
(S)-versiconol (CHEBI:71665) is conjugate acid of (S)-versiconol(1−) (CHEBI:77947)
Incoming Relation(s)
(S)-versiconol(1−) (CHEBI:77947) is conjugate base of (S)-versiconol (CHEBI:71665)
IUPAC Name 
2-[(2S)-1,4-dihydroxybutan-2-yl]-1,3,6,8-tetrahydroxy-9,10-anthraquinone
Registry NumbersSources
Reaxys:7341993Reaxys
CAS:22268-13-9ChemIDplus