EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:224702 - Marinacarboline K

ChEBI IDCHEBI:224702
ChEBI NameMarinacarboline K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H23N3O4
Net Charge0
Average Mass417.465
Monoisotopic Mass417.16886
SMILESCO[C@@]1(C)N(C[C@@H](O)c2ccccc2)C(=O)c2cc3c4ccccc4n(C)c3c(=O)n21
InChIInChI=1S/C24H23N3O4/c1-24(31-3)26(14-20(28)15-9-5-4-6-10-15)22(29)19-13-17-16-11-7-8-12-18(16)25(2)21(17)23(30)27(19)24/h4-13,20,28H,14H2,1-3H3/t20-,24+/m1/s1
InChIKeyNSKGPNPTDFLIQO-YKSBVNFPSA-N
Species of MetaboliteComponentSourceComments
Actinoalloteichus (ncbitaxon:65496) - PubMed (32864967)
ChEBI Ontology
Outgoing Relation(s)
Marinacarboline K (CHEBI:224702) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(12S)-13-[(2S)-2-hydroxy-2-phenylethyl]-12-methoxy-8,12-dimethyl-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaene-10,14-dione
Manual XrefsDatabases
92172160ChemSpider