4beta,5alpha-dihydroxy-2,5beta-dimethylcyclohex-2-enone (CHEBI:214541)

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	4beta,5alpha-dihydroxy-2,5beta-dimethylcyclohex-2-enone

ChEBI ID	CHEBI:214541

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H12O3

Net Charge

Average Mass

156.181

Monoisotopic Mass

156.07864

InChI

InChI=1S/C8H12O3/c1-5-3-7(10)8(2,11)4-6(5)9/h3,7,10-11H,4H2,1-2H3/t7-,8-/m0/s1

InChIKey

XNSWLALPMYBULY-YUMQZZPRSA-N

SMILES

O=C1C(=C[C@H](O)[C@](C1)(O)C)C

Metabolite of Species	Details
Enteractinococcus coprophilus (NCBI:txid1027633)	See: DOI

ChEBI Ontology
Outgoing	4beta,5alpha-dihydroxy-2,5beta-dimethylcyclohex-2-enone (CHEBI:214541) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(4S,5S)-4,5-dihydroxy-2,5-dimethylcyclohex-2-en-1-one