(9R∗)-8-methyl-9,11-dichlorodiaporthin (CHEBI:209762)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:209762 - (9R∗)-8-methyl-9,11-dichlorodiaporthin

Take structure to advanced search

ChEBI ID	CHEBI:209762
ChEBI Name	(9R∗)-8-methyl-9,11-dichlorodiaporthin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H14Cl2O5
Net Charge	0
Average Mass	333.167
Monoisotopic Mass	332.02183
SMILES	COc1cc(OC)c2c(=O)oc([C@H](Cl)[C@@H](O)CCl)cc2c1
InChI	InChI=1S/C14H14Cl2O5/c1-19-8-3-7-4-11(13(16)9(17)6-15)21-14(18)12(7)10(5-8)20-2/h3-5,9,13,17H,6H2,1-2H3/t9-,13+/m0/s1
InChIKey	PXZNVKGVHPZSHR-TVQRCGJNSA-N

Species of Metabolite	Component	Source	Comments
Hamigera (ncbitaxon:39196)	-	PubMed (29792325)

ChEBI Ontology

Outgoing Relation(s)
	(9R∗)-8-methyl-9,11-dichlorodiaporthin (CHEBI:209762) is a isocoumarins (CHEBI:38758)

IUPAC Name
3-[(1R,2S)-1,3-dichloro-2-hydroxypropyl]-6,8-dimethoxyisochromen-1-one

Manual Xrefs	Databases
78439091	ChemSpider