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CHEBI:210844 - (1'S)-1'-O-methyl-7-chloroaverantin

ChEBI IDCHEBI:210844
ChEBI Name(1'S)-1'-O-methyl-7-chloroaverantin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21ClO7
Net Charge0
Average Mass420.845
Monoisotopic Mass420.09758
SMILESCCCCC[C@H](OC)c1c(O)cc2c(c1O)C(=O)c1c(cc(O)c(Cl)c1O)C2=O
InChIInChI=1S/C21H21ClO7/c1-3-4-5-6-13(29-2)16-11(23)7-9-14(20(16)27)19(26)15-10(18(9)25)8-12(24)17(22)21(15)28/h7-8,13,23-24,27-28H,3-6H2,1-2H3/t13-/m0/s1
InChIKeyKGTDNRSYXXWABH-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies SCSIO F063 (ncbitaxon:1166486) - PubMed (22703109)
ChEBI Ontology
Outgoing Relation(s)
(1'S)-1'-O-methyl-7-chloroaverantin (CHEBI:210844) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
2-chloro-1,3,6,8-tetrahydroxy-7-[(1S)-1-methoxyhexyl]anthracene-9,10-dione
Manual XrefsDatabases
28515197ChemSpider