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CHEBI:222841 - Rubiginone B1

ChEBI IDCHEBI:222841
ChEBI NameRubiginone B1
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FormulaC20H18O4
Net Charge0
Average Mass322.360
Monoisotopic Mass322.12051
SMILESCOc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)C3
InChIInChI=1S/C20H18O4/c1-10-8-11-6-7-13-18(16(11)14(21)9-10)20(23)12-4-3-5-15(24-2)17(12)19(13)22/h3-7,10,14,21H,8-9H2,1-2H3/t10-,14-/m0/s1
InChIKeyGCPUVEMWOWMALU-HZMBPMFUSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Rubiginone B1 (CHEBI:222841) is a angucycline (CHEBI:48130)
IUPAC Name 
(1S,3S)-1-hydroxy-8-methoxy-3-methyl-1,2,3,4-tetrahydrobenzo[a]anthracene-7,12-dione
Manual XrefsDatabases
115987ChemSpider