1-(2,5-dihydroxyphenyl)-3-methoxy-butan-1-one (CHEBI:226992)

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CHEBI:226992 - 1-(2,5-dihydroxyphenyl)-3-methoxy-butan-1-one

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ChEBI ID	CHEBI:226992
ChEBI Name	1-(2,5-dihydroxyphenyl)-3-methoxy-butan-1-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H14O4
Net Charge	0
Average Mass	210.229
Monoisotopic Mass	210.08921
SMILES	CO[C@H](C)CC(=O)c1cc(O)ccc1O
InChI	InChI=1S/C11H14O4/c1-7(15-2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,12-13H,5H2,1-2H3/t7-/m1/s1
InChIKey	JYCQDCDWBLCDEA-SSDOTTSWSA-N

Species of Metabolite	Component	Source	Comments
Paraconiothyrium (ncbitaxon:300251)	-	PubMed (29946066)

ChEBI Ontology

Outgoing Relation(s)
	1-(2,5-dihydroxyphenyl)-3-methoxy-butan-1-one (CHEBI:226992) is a aromatic ketone (CHEBI:76224)

IUPAC Name
(3R)-1-(2,5-dihydroxyphenyl)-3-methoxybutan-1-one

Manual Xrefs	Databases
71044389	ChemSpider