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CHEBI:223553 - Sarubicin A

ChEBI IDCHEBI:223553
ChEBI NameSarubicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14N2O6
Net Charge0
Average Mass294.263
Monoisotopic Mass294.08519
SMILESC[C@H]1O[C@@H]2C[C@@H](O)[C@@]1(O)C1=C2C(O)=C(C(N)=O)C(=N)C1=O
InChIInChI=1S/C13H14N2O6/c1-3-13(20)5(16)2-4(21-3)6-8(13)11(18)9(14)7(10(6)17)12(15)19/h3-5,14,16-17,20H,2H2,1H3,(H2,15,19)/t3-,4-,5-,13-/m1/s1
InChIKeyXGXZRIYLDVKOFX-BEWJSZONSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7429980)
ChEBI Ontology
Outgoing Relation(s)
Sarubicin A (CHEBI:223553) is a quinone imine (CHEBI:50193)
IUPAC Name 
(1S,8R,10R,11R)-1,6,11-trihydroxy-4-imino-10-methyl-3-oxo-9-oxatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-5-carboxamide
Manual XrefsDatabases
78443103ChemSpider