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CHEBI:224645 - Marinacarboline E

ChEBI IDCHEBI:224645
ChEBI NameMarinacarboline E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H21N3O3
Net Charge0
Average Mass399.450
Monoisotopic Mass399.15829
SMILESCO[C@@]1(C)N(/C=C/c2ccccc2)C(=O)c2cc3c4ccccc4n(C)c3c(=O)n21
InChIInChI=1S/C24H21N3O3/c1-24(30-3)26(14-13-16-9-5-4-6-10-16)22(28)20-15-18-17-11-7-8-12-19(17)25(2)21(18)23(29)27(20)24/h4-15H,1-3H3/b14-13+/t24-/m0/s1
InChIKeyKQGIOFULIYUITH-XXFRDUSWSA-N
Species of MetaboliteComponentSourceComments
Actinoalloteichus (ncbitaxon:65496) - PubMed (32864967)
ChEBI Ontology
Outgoing Relation(s)
Marinacarboline E (CHEBI:224645) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(12S)-12-methoxy-8,12-dimethyl-13-[(E)-2-phenylethenyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaene-10,14-dione
Manual XrefsDatabases
92172154ChemSpider