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CHEBI:2725 - Angustine

ChEBI IDCHEBI:2725
ChEBI NameAngustine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H15N3O
Net Charge0
Average Mass313.360
Monoisotopic Mass313.12151
SMILESC=Cc1cncc2c(=O)n3c(cc12)-c1nc2ccccc2c1CC3
InChIInChI=1S/C20H15N3O/c1-2-12-10-21-11-16-15(12)9-18-19-14(7-8-23(18)20(16)24)13-5-3-4-6-17(13)22-19/h2-6,9-11,22H,1,7-8H2
InChIKeyFACXQEOSOVJIPD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Angustine (CHEBI:2725) is a β-carbolines (CHEBI:60834)
Synonym  Source
AngustineKEGG COMPOUND
Manual XrefsDatabases
C09032KEGG COMPOUND
C00001685KNApSAcK
Registry NumbersSources
CAS:40041-96-1KEGG COMPOUND