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CHEBI:204004 - 4,6-diacetylhygrophorone A

ChEBI IDCHEBI:204004
ChEBI Name4,6-diacetylhygrophorone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O6
Net Charge0
Average Mass396.524
Monoisotopic Mass396.25119
SMILESCCCCCCCCCCCC[C@@H](OC(C)=O)[C@@]1(O)C(=O)C=C[C@H]1OC(C)=O
InChIInChI=1S/C22H36O6/c1-4-5-6-7-8-9-10-11-12-13-14-20(27-17(2)23)22(26)19(25)15-16-21(22)28-18(3)24/h15-16,20-21,26H,4-14H2,1-3H3/t20-,21-,22+/m1/s1
InChIKeyPJHFOPCCHLVEMN-VSKRKVRLSA-N
Species of MetaboliteComponentSourceComments
Hygrophorus latitabundus (ncbitaxon:131569) - PubMed (15110686)
ChEBI Ontology
Outgoing Relation(s)
4,6-diacetylhygrophorone A (CHEBI:204004) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(1R,5S)-5-[(1R)-1-acetyloxytridecyl]-5-hydroxy-4-oxocyclopent-2-en-1-yl] acetate
Manual XrefsDatabases
78437081ChemSpider