CHEBI:204004 - 4,6-diacetylhygrophorone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 4,6-diacetylhygrophorone A
ChEBI ID CHEBI:204004
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H36O6
Net Charge 0
Average Mass 396.524
Monoisotopic Mass 396.25119
InChI InChI=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
InChIKey PJHFOPCCHLVEMN-VSKRKVRLSA-N
SMILES O=C1C=C[C@H]([C@@]1(O)[C@H](OC(=O)C)CCCCCCCCCCCC)OC(=O)C
Metabolite of Species Details
Hygrophorus latitabundus (NCBI:txid131569) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78437081 ChemSpider
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