4-O-acetyl hygrophorone D14 (CHEBI:207927)

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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-O-acetyl hygrophorone D14

ChEBI ID	CHEBI:207927

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H36O5

Net Charge

Average Mass

380.525

Monoisotopic Mass

380.25627

InChI

InChI=1S/C22H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)22(26)20(25)16-17-21(22)27-18(2)23/h16-17,21,26H,3-15H2,1-2H3/t21-,22-/m0/s1

InChIKey

WEUHBNPUJHPTSZ-VXKWHMMOSA-N

SMILES

O=C1C=C[C@@H]([C@]1(O)C(=O)CCCCCCCCCCCCCC)OC(=O)C

Metabolite of Species	Details
Hygrophorus persoonii (NCBI:txid1032769)	See: PubMed

ChEBI Ontology
Outgoing	4-O-acetyl hygrophorone D14 (CHEBI:207927) is a secondary α-hydroxy ketone (CHEBI:2468)

IUPAC Name

[(1S,5S)-5-hydroxy-4-oxo-5-pentadecanoylcyclopent-2-en-1-yl] acetate