(3S,4R)-6-acetyl-3,4-dihydroxy-2,2-dimethylchromane (CHEBI:200255)

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CHEBI:200255 - (3S,4R)-6-acetyl-3,4-dihydroxy-2,2-dimethylchromane

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ChEBI ID	CHEBI:200255
ChEBI Name	(3S,4R)-6-acetyl-3,4-dihydroxy-2,2-dimethylchromane
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H16O4
Net Charge	0
Average Mass	236.267
Monoisotopic Mass	236.10486
SMILES	CC(=O)c1ccc2c(c1)[C@@H](O)[C@H](O)C(C)(C)O2
InChI	InChI=1S/C13H16O4/c1-7(14)8-4-5-10-9(6-8)11(15)12(16)13(2,3)17-10/h4-6,11-12,15-16H,1-3H3/t11-,12+/m1/s1
InChIKey	AMJRVNUEWFTIFW-NEPJUHHUSA-N

Species of Metabolite	Component	Source	Comments
Paraphaeosphaeria minitans (ncbitaxon:565426)	-	DOI (10.1016/s0031-9422(01)00129-7)

ChEBI Ontology

Outgoing Relation(s)
	(3S,4R)-6-acetyl-3,4-dihydroxy-2,2-dimethylchromane (CHEBI:200255) is a 1-benzopyran (CHEBI:38443)

IUPAC Name
1-[(3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]ethanone

Manual Xrefs	Databases
552601	ChemSpider