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CHEBI:8109 - Phlegmarine

ChEBI IDCHEBI:8109
ChEBI NamePhlegmarine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H30N2
Net Charge0
Average Mass250.430
Monoisotopic Mass250.24090
SMILES[H][C@@]1(C[C@]2([H])C[C@@H](C)C[C@@]3([H])NCCC[C@]23[H])CCCCN1
InChIInChI=1S/C16H30N2/c1-12-9-13(11-14-5-2-3-7-17-14)15-6-4-8-18-16(15)10-12/h12-18H,2-11H2,1H3/t12-,13+,14+,15-,16-/m1/s1
InChIKeyHLJWSLBSLJLQBA-LYYZXLFJSA-N
ChEBI Ontology
Outgoing Relation(s)
Phlegmarine (CHEBI:8109) is a organic heterobicyclic compound (CHEBI:27171)
Phlegmarine (CHEBI:8109) is a organonitrogen heterocyclic compound (CHEBI:38101)
Synonym  Source
PhlegmarineKEGG COMPOUND
Manual XrefsDatabases
C09892KEGG COMPOUND
C00001954KNApSAcK
Registry NumbersSources
CAS:66834-87-5KEGG COMPOUND