Pseudohygrophorone B(12) (CHEBI:227224)

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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	Pseudohygrophorone B(12)

ChEBI ID	CHEBI:227224

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H32O4

Net Charge

Average Mass

312.450

Monoisotopic Mass

312.23006

InChI

InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-10-11-14-18(22)16(20)13-12-15(19)17(18)21/h12-13,16-17,20-22H,2-11,14H2,1H3/t16-,17-,18-/m0/s1

InChIKey

LGOYOMBWODTOJH-BZSNNMDCSA-N

SMILES

O=C1C=C[C@H](O)[C@@]([C@H]1O)(O)CCCCCCCCCCCC

Metabolite of Species	Details
Hygrophorus abieticola (NCBI:txid2202771)	See: PubMed

ChEBI Ontology
Outgoing	Pseudohygrophorone B(12) (CHEBI:227224) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(4S,5S,6R)-5-dodecyl-4,5,6-trihydroxycyclohex-2-en-1-one