EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209900 - 4-O-acetyl hygrophorone C12

ChEBI IDCHEBI:209900
ChEBI Name4-O-acetyl hygrophorone C12
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O5
Net Charge0
Average Mass352.471
Monoisotopic Mass352.22497
SMILESCCCCCCCCCCCCC(=O)[C@]1(O)C(=O)C=C[C@H]1OC(C)=O
InChIInChI=1S/C20H32O5/c1-3-4-5-6-7-8-9-10-11-12-13-17(22)20(24)18(23)14-15-19(20)25-16(2)21/h14-15,19,24H,3-13H2,1-2H3/t19-,20+/m1/s1
InChIKeyNTQWRCCBLDPDFL-UXHICEINSA-N
Species of MetaboliteComponentSourceComments
Hygrophorus persoonii (ncbitaxon:1032769) - PubMed (15110686)
ChEBI Ontology
Outgoing Relation(s)
4-O-acetyl hygrophorone C12 (CHEBI:209900) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
[(1R,5S)-5-hydroxy-4-oxo-5-tridecanoylcyclopent-2-en-1-yl] acetate
Manual XrefsDatabases
78437408ChemSpider