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CHEBI:198650 - 8-O-methylaverufin

ChEBI IDCHEBI:198650
ChEBI Name8-O-methylaverufin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O7
Net Charge0
Average Mass382.368
Monoisotopic Mass382.10525
SMILESCOc1cc(O)cc2c1C(=O)c1c(cc3c(c1O)[C@@H]1CCC[C@](C)(O3)O1)C2=O
InChIInChI=1S/C21H18O7/c1-21-5-3-4-12(27-21)17-14(28-21)8-11-16(20(17)25)19(24)15-10(18(11)23)6-9(22)7-13(15)26-2/h6-8,12,22,25H,3-5H2,1-2H3/t12-,21-/m0/s1
InChIKeyQZGXXZPRJHSVTD-QKVFXAPYSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (12870811)
ChEBI Ontology
Outgoing Relation(s)
8-O-methylaverufin (CHEBI:198650) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1S,17S)-3,9-dihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione
Manual XrefsDatabases
9102298ChemSpider