EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224663 - Marinacarboline Q

ChEBI IDCHEBI:224663
ChEBI NameMarinacarboline Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H21N3O4
Net Charge0
Average Mass403.438
Monoisotopic Mass403.15321
SMILESCC(=O)NC[C@H](OC(=O)c1cc2c3ccccc3n(C)c2c(=O)n1)c1ccccc1
InChIInChI=1S/C23H21N3O4/c1-14(27)24-13-20(15-8-4-3-5-9-15)30-23(29)18-12-17-16-10-6-7-11-19(16)26(2)21(17)22(28)25-18/h3-12,20H,13H2,1-2H3,(H,24,27)(H,25,28)/t20-/m0/s1
InChIKeyDPGAFACESYVFJH-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Actinoalloteichus (ncbitaxon:65496) - PubMed (32864967)
ChEBI Ontology
Outgoing Relation(s)
Marinacarboline Q (CHEBI:224663) is a β-carbolines (CHEBI:60834)
IUPAC Name 
[(1R)-2-acetamido-1-phenylethyl] 9-methyl-1-oxo-2H-pyrido[3,4-b]indole-3-carboxylate
Manual XrefsDatabases
92172165ChemSpider