EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206246 - Ostalactone C

ChEBI IDCHEBI:206246
ChEBI NameOstalactone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESC/C(=C\C[C@H]1C=C(CO)C=COC1=O)CO
InChIInChI=1S/C12H16O4/c1-9(7-13)2-3-11-6-10(8-14)4-5-16-12(11)15/h2,4-6,11,13-14H,3,7-8H2,1H3/b9-2+/t11-/m0/s1
InChIKeyQFVFHHAIWPKYPM-GXQKKRFUSA-N
Species of MetaboliteComponentSourceComments
Stereum ostrea (ncbitaxon:103387) - PubMed (28006918)
ChEBI Ontology
Outgoing Relation(s)
Ostalactone C (CHEBI:206246) is a ester (CHEBI:35701)
IUPAC Name 
5-(hydroxymethyl)-3-[(E)-4-hydroxy-3-methylbut-2-enyl]-3H-oxepin-2-one
Manual XrefsDatabases
76737822ChemSpider