7-Chloro-1-O-methyl-w-hydroxyemodin (CHEBI:202019)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202019 - 7-Chloro-1-O-methyl-w-hydroxyemodin

Take structure to advanced search

ChEBI ID	CHEBI:202019
ChEBI Name	7-Chloro-1-O-methyl-w-hydroxyemodin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H11ClO6
Net Charge	0
Average Mass	334.711
Monoisotopic Mass	334.02442
SMILES	COc1cc(CO)cc2c1C(=O)c1c(cc(O)c(Cl)c1O)C2=O
InChI	InChI=1S/C16H11ClO6/c1-23-10-3-6(5-18)2-7-11(10)15(21)12-8(14(7)20)4-9(19)13(17)16(12)22/h2-4,18-19,22H,5H2,1H3
InChIKey	LAWIYIBDGDHAKG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Nephroma laevigatum (ncbitaxon:203386)	-	DOI (10.1021/np50118a006)

ChEBI Ontology

Outgoing Relation(s)
	7-Chloro-1-O-methyl-w-hydroxyemodin (CHEBI:202019) is a hydroxyanthraquinones (CHEBI:37485)

IUPAC Name
2-chloro-1,3-dihydroxy-6-(hydroxymethyl)-8-methoxyanthracene-9,10-dione

Manual Xrefs	Databases
78435941	ChemSpider