CHEBI:204205 - 4-O-Acetyl hygrophorone D12

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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-O-Acetyl hygrophorone D12
ChEBI ID CHEBI:204205
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H32O5
Net Charge 0
Average Mass 352.471
Monoisotopic Mass 352.22497
InChI InChI=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
InChIKey NTQWRCCBLDPDFL-WOJBJXKFSA-N
SMILES O=C1C=C[C@H]([C@@]1(O)C(=O)CCCCCCCCCCCC)OC(=O)C
Metabolite of Species Details
Hygrophorus latitabundus (NCBI:txid131569) See: PubMed
ChEBI Ontology
Outgoing 4-O-Acetyl hygrophorone D12 (CHEBI:204205) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
[(1R,5R)-5-hydroxy-4-oxo-5-tridecanoylcyclopent-2-en-1-yl] acetate
Manual Xref Database
10187798 ChemSpider
View more database links