EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222846 - Rubiginone C1

ChEBI IDCHEBI:222846
ChEBI NameRubiginone C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O6
Net Charge0
Average Mass408.450
Monoisotopic Mass408.15729
SMILESCOc1cccc2c1C(=O)c1ccc3c(c1C2=O)C(O)CC(C)C3OC(=O)C(C)C
InChIInChI=1S/C24H24O6/c1-11(2)24(28)30-23-12(3)10-16(25)18-15(23)9-8-14-20(18)22(27)13-6-5-7-17(29-4)19(13)21(14)26/h5-9,11-12,16,23,25H,10H2,1-4H3
InChIKeyWEAUAVYOYHZPNX-UHFFFAOYSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
Rubiginone C1 (CHEBI:222846) is a angucycline (CHEBI:48130)
IUPAC Name 
(1-hydroxy-8-methoxy-3-methyl-7,12-dioxo-1,2,3,4-tetrahydrobenzo[a]anthracen-4-yl) 2-methylpropanoate
Manual XrefsDatabases
8245554ChemSpider