1-(2,5-dihydroxyphenyl)-3-hydroxybutan-1-one (CHEBI:226987)

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CHEBI:226987 - 1-(2,5-dihydroxyphenyl)-3-hydroxybutan-1-one

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ChEBI ID	CHEBI:226987
ChEBI Name	1-(2,5-dihydroxyphenyl)-3-hydroxybutan-1-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H12O4
Net Charge	0
Average Mass	196.202
Monoisotopic Mass	196.07356
SMILES	C[C@@H](O)CC(=O)c1cc(O)ccc1O
InChI	InChI=1S/C10H12O4/c1-6(11)4-10(14)8-5-7(12)2-3-9(8)13/h2-3,5-6,11-13H,4H2,1H3/t6-/m1/s1
InChIKey	WKQRFNCVSZBUJJ-ZCFIWIBFSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	1-(2,5-dihydroxyphenyl)-3-hydroxybutan-1-one (CHEBI:226987) is a aromatic ketone (CHEBI:76224)

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

Manual Xrefs	Databases
71044390	ChemSpider