3,5-dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin (CHEBI:198858)

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CHEBI:198858 - 3,5-dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin

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ChEBI ID	CHEBI:198858
ChEBI Name	3,5-dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O4
Net Charge	0
Average Mass	222.240
Monoisotopic Mass	222.08921
SMILES	COc1cc(C)c2c(c1O)C(=O)O[C@@H](C)C2
InChI	InChI=1S/C12H14O4/c1-6-4-9(15-3)11(13)10-8(6)5-7(2)16-12(10)14/h4,7,13H,5H2,1-3H3/t7-/m0/s1
InChIKey	LBKKWDZRPZHFNQ-ZETCQYMHSA-N

Species of Metabolite	Component	Source	Comments
Cytospora eucalypticola (ncbitaxon:117546)	-	DOI (10.1016/s0031-9422(02)00606-4)

ChEBI Ontology

Outgoing Relation(s)
	3,5-dimethyl-8-hydroxy-7-methoxy-3,4-dihydroisocoumarin (CHEBI:198858) is a 2-benzopyran (CHEBI:38444)

IUPAC Name
8-hydroxy-7-methoxy-3,5-dimethyl-3,4-dihydroisochromen-1-one

Manual Xrefs	Databases
9965451	ChemSpider