(S)-(-)-6,8-di-O-methylcitreoisocoumarin (CHEBI:219142)

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CHEBI:219142 - (S)-(-)-6,8-di-O-methylcitreoisocoumarin

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ChEBI ID	CHEBI:219142
ChEBI Name	(S)-(-)-6,8-di-O-methylcitreoisocoumarin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H18O6
Net Charge	0
Average Mass	306.314
Monoisotopic Mass	306.11034
SMILES	COc1cc(OC)c2c(=O)oc(C[C@H](O)CC(C)=O)cc2c1
InChI	InChI=1S/C16H18O6/c1-9(17)4-11(18)7-13-6-10-5-12(20-2)8-14(21-3)15(10)16(19)22-13/h5-6,8,11,18H,4,7H2,1-3H3/t11-/m1/s1
InChIKey	JEVUJHJOJYCWTP-LLVKDONJSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (24983640)

ChEBI Ontology

Outgoing Relation(s)
	(S)-(-)-6,8-di-O-methylcitreoisocoumarin (CHEBI:219142) is a isocoumarins (CHEBI:38758)

IUPAC Name
3-[(2S)-2-hydroxy-4-oxopentyl]-6,8-dimethoxyisochromen-1-one

Manual Xrefs	Databases
557567	ChemSpider