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CHEBI:222857 - (1'S)-6,1'-O,O-dimethyl-7-bromoaverantin

ChEBI IDCHEBI:222857
ChEBI Name(1'S)-6,1'-O,O-dimethyl-7-bromoaverantin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23BrO7
Net Charge0
Average Mass479.323
Monoisotopic Mass478.06272
SMILESCCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(cc(OC)c(Br)c1O)C2=O
InChIInChI=1S/C22H23BrO7/c1-4-5-6-7-13(29-2)17-12(24)8-10-15(21(17)27)20(26)16-11(19(10)25)9-14(30-3)18(23)22(16)28/h8-9,13,24,27-28H,4-7H2,1-3H3/t13-/m0/s1
InChIKeyUVVVGQUPTFFAPV-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSIO F063 (ncbitaxon:1166486) - PubMed (22703109)
ChEBI Ontology
Outgoing Relation(s)
(1'S)-6,1'-O,O-dimethyl-7-bromoaverantin (CHEBI:222857) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2-bromo-1,6,8-trihydroxy-3-methoxy-7-[(1S)-1-methoxyhexyl]anthracene-9,10-dione
Manual XrefsDatabases
28515040ChemSpider