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CHEBI:222834 - Rubiginone A1

ChEBI IDCHEBI:222834
ChEBI NameRubiginone A1
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FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESCOc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(O)CC(C)C3O
InChIInChI=1S/C20H18O5/c1-9-8-13(21)15-11(18(9)22)6-7-12-17(15)20(24)10-4-3-5-14(25-2)16(10)19(12)23/h3-7,9,13,18,21-22H,8H2,1-2H3
InChIKeyMIBAJSFXKXYYJK-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Rubiginone A1 (CHEBI:222834) is a angucycline (CHEBI:48130)
IUPAC Name 
1,4-dihydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
8172843ChemSpider