EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:219991 - Rubimycinone A

ChEBI IDCHEBI:219991
ChEBI NameRubimycinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H20O6
Net Charge0
Average Mass404.418
Monoisotopic Mass404.12599
SMILESC/C=C/C[C@@]1(C)OC(c2c(C)cc3c(c2O)C(=O)c2c(O)cccc2C3=O)=CC1=O
InChIInChI=1S/C24H20O6/c1-4-5-9-24(3)17(26)11-16(30-24)18-12(2)10-14-20(22(18)28)23(29)19-13(21(14)27)7-6-8-15(19)25/h4-8,10-11,25,28H,9H2,1-3H3/b5-4+/t24-/m1/s1
InChIKeyMGOOMSSDOYTKON-MCCBOCGNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.tetlet.2012.11.130)
ChEBI Ontology
Outgoing Relation(s)
Rubimycinone A (CHEBI:219991) is a anthraquinone (CHEBI:22580)
IUPAC Name 
2-[(5R)-5-[(E)-but-2-enyl]-5-methyl-4-oxouran-2-yl]-1,8-dihydroxy-3-methylanthracene-9,10-dione
Manual XrefsDatabases
28945568ChemSpider