4,5-Dihydroxy-3-methyl-cyclohex-2-enone (CHEBI:217502)

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CHEBI:217502 - 4,5-Dihydroxy-3-methyl-cyclohex-2-enone

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ChEBI ID	CHEBI:217502
ChEBI Name	4,5-Dihydroxy-3-methyl-cyclohex-2-enone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C7H10O3
Net Charge	0
Average Mass	142.154
Monoisotopic Mass	142.06299
SMILES	CC1=CC(=O)C[C@H](O)[C@H]1O
InChI	InChI=1S/C7H10O3/c1-4-2-5(8)3-6(9)7(4)10/h2,6-7,9-10H,3H2,1H3/t6-,7-/m0/s1
InChIKey	XSYRJOIWCRQUFK-BQBZGAKWSA-N

Species of Metabolite	Component	Source	Comments
Lasiodiplodia (ncbitaxon:66739)	-	PubMed (19661717)

ChEBI Ontology

Outgoing Relation(s)
	4,5-Dihydroxy-3-methyl-cyclohex-2-enone (CHEBI:217502) is a cyclohexenones (CHEBI:48953)

IUPAC Name
(4S,5S)-4,5-dihydroxy-3-methylcyclohex-2-en-1-one

Manual Xrefs	Databases
61703749	ChemSpider