(4S,5R)-4,5-Dihydroxy-3-methoxy-5-methylcyclohex-2-enone (CHEBI:216123)

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CHEBI:216123 - (4S,5R)-4,5-Dihydroxy-3-methoxy-5-methylcyclohex-2-enone

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ChEBI ID	CHEBI:216123
ChEBI Name	(4S,5R)-4,5-Dihydroxy-3-methoxy-5-methylcyclohex-2-enone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H12O4
Net Charge	0
Average Mass	172.180
Monoisotopic Mass	172.07356
SMILES	COC1=CC(=O)C[C@@](C)(O)[C@H]1O
InChI	InChI=1S/C8H12O4/c1-8(11)4-5(9)3-6(12-2)7(8)10/h3,7,10-11H,4H2,1-2H3/t7-,8+/m0/s1
InChIKey	WJKXLOGUCSSDAB-JGVFFNPUSA-N

Species of Metabolite	Component	Source	Comments
Aspergillusspecies (ncbitaxon:5065)	-	PubMed (15620238)

ChEBI Ontology

Outgoing Relation(s)
	(4S,5R)-4,5-Dihydroxy-3-methoxy-5-methylcyclohex-2-enone (CHEBI:216123) is a cyclohexenones (CHEBI:48953)

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

Manual Xrefs	Databases
4439448	ChemSpider