EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222919 - Marinocyanin E

ChEBI IDCHEBI:222919
ChEBI NameMarinocyanin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23BrN2O2
Net Charge0
Average Mass427.342
Monoisotopic Mass426.09429
SMILESCC1=C(Cn2c3ccc(Br)c(=O)c-3nc3ccccc32)CCC(C)(C)[C@@H]1O
InChIInChI=1S/C22H23BrN2O2/c1-13-14(10-11-22(2,3)21(13)27)12-25-17-7-5-4-6-16(17)24-19-18(25)9-8-15(23)20(19)26/h4-9,21,27H,10-12H2,1-3H3/t21-/m1/s1
InChIKeyJREKSNBRIDHCTK-OAQYLSRUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25227504)
ChEBI Ontology
Outgoing Relation(s)
Marinocyanin E (CHEBI:222919) is a phenazines (CHEBI:39201)
IUPAC Name 
2-bromo-5-[(3-hydroxy-2,4,4-trimethylcyclohexen-1-yl)methyl]phenazin-1-one
Manual XrefsDatabases
61708606ChemSpider