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CHEBI:141913 - Isomalindine

ChEBI IDCHEBI:141913
ChEBI NameIsomalindine
Stars
Submittermwilliams
DownloadsMolfile
FormulaC20H22N3
Net Charge+1
Average Mass304.417
Monoisotopic Mass304.18082
SMILES[H][C@@]12Cc3ccncc3[C@@]([H])(C)[N@@+]1(C)CCc1c2nc2ccccc12
InChIInChI=1S/C20H22N3/c1-13-17-12-21-9-7-14(17)11-19-20-16(8-10-23(13,19)2)15-5-3-4-6-18(15)22-20/h3-7,9,12-13,19,22H,8,10-11H2,1-2H3/q+1/t13-,19+,23-/m1/s1
InChIKeyKXNXUEUDDUKJMK-DEWVYBRMSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Isomalindine (CHEBI:141913) is a monoterpenoid indole alkaloid (CHEBI:65323)