(3R*,4S*)-6,8-Dihydroxy-3,4,7-trimethylisocoumarin (CHEBI:213149)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:213149 - (3R,4S)-6,8-Dihydroxy-3,4,7-trimethylisocoumarin

Take structure to advanced search

ChEBI ID	CHEBI:213149
ChEBI Name	(3R,4S)-6,8-Dihydroxy-3,4,7-trimethylisocoumarin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O4
Net Charge	0
Average Mass	222.240
Monoisotopic Mass	222.08921
SMILES	Cc1c(O)cc2c(c1O)C(=O)O[C@H](C)[C@H]2C
InChI	InChI=1S/C12H14O4/c1-5-7(3)16-12(15)10-8(5)4-9(13)6(2)11(10)14/h4-5,7,13-14H,1-3H3/t5-,7-/m1/s1
InChIKey	WWSWVMRYHCEPFK-IYSWYEEDSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	DOI (10.1007/s10600-010-9503-y)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(3R,4S)-6,8-Dihydroxy-3,4,7-trimethylisocoumarin (CHEBI:213149) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name
(3R,4S)-6,8-dihydroxy-3,4,7-trimethyl-3,4-dihydroisochromen-1-one

Manual Xrefs	Databases
27024616	ChemSpider