EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:203096 - Versicolactone D

ChEBI IDCHEBI:203096
ChEBI NameVersicolactone D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O7
Net Charge0
Average Mass438.476
Monoisotopic Mass438.16785
SMILESCOC(=O)[C@]1(Cc2ccc(O)c(CC=C(C)C)c2)OC(=O)C(O)=C1c1ccc(OC)cc1
InChIInChI=1S/C25H26O7/c1-15(2)5-7-18-13-16(6-12-20(18)26)14-25(24(29)31-4)21(22(27)23(28)32-25)17-8-10-19(30-3)11-9-17/h5-6,8-13,26-27H,7,14H2,1-4H3/t25-/m1/s1
InChIKeyNOSZCJQZUYDKAW-RUZDIDTESA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - PubMed (25590371)
ChEBI Ontology
Outgoing Relation(s)
Versicolactone D (CHEBI:203096) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
methyl (2R)-4-hydroxy-2-[[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]methyl]-3-(4-methoxyphenyl)-5-oxouran-2-carboxylate
Manual XrefsDatabases
78440928ChemSpider