EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202642 - Versicolactone A

ChEBI IDCHEBI:202642
ChEBI NameVersicolactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H22O8
Net Charge0
Average Mass426.421
Monoisotopic Mass426.13147
SMILESCOC(=O)[C@]1(Cc2ccc(O)c(CC(C)=O)c2)OC(=O)C(O)=C1c1ccc(OC)cc1
InChIInChI=1S/C23H22O8/c1-13(24)10-16-11-14(4-9-18(16)25)12-23(22(28)30-3)19(20(26)21(27)31-23)15-5-7-17(29-2)8-6-15/h4-9,11,25-26H,10,12H2,1-3H3/t23-/m1/s1
InChIKeyGBICKRVPGNZDMS-HSZRJFAPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (25590371)
ChEBI Ontology
Outgoing Relation(s)
Versicolactone A (CHEBI:202642) is a alkylbenzene (CHEBI:38976)
IUPAC Name 
methyl (2R)-4-hydroxy-2-[[4-hydroxy-3-(2-oxopropyl)phenyl]methyl]-3-(4-methoxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
78440898ChemSpider