6-O-methyl-7-chloroaverythrin (CHEBI:208473)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208473 - 6-O-methyl-7-chloroaverythrin

Take structure to advanced search

ChEBI ID	CHEBI:208473
ChEBI Name	6-O-methyl-7-chloroaverythrin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H19ClO6
Net Charge	0
Average Mass	402.830
Monoisotopic Mass	402.08702
SMILES	CCCC/C=C/c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Cl)c1O)C2=O
InChI	InChI=1S/C21H19ClO6/c1-3-4-5-6-7-10-13(23)8-11-15(19(10)25)20(26)16-12(18(11)24)9-14(28-2)17(22)21(16)27/h6-9,23,25,27H,3-5H2,1-2H3/b7-6+
InChIKey	BQGOKZYOQBVDFY-VOTSOKGWSA-N

Species of Metabolite	Component	Source	Comments
Aspergillusspecies SCSIO F063 (ncbitaxon:1166486)	-	PubMed (22703109)

ChEBI Ontology

Outgoing Relation(s)
	6-O-methyl-7-chloroaverythrin (CHEBI:208473) is a hydroxyanthraquinones (CHEBI:37485)

IUPAC Name
2-chloro-7-[(E)-hex-1-enyl]-1,6,8-trihydroxy-3-methoxyanthracene-9,10-dione

Manual Xrefs	Databases
28515676	ChemSpider