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CHEBI:9922 - Valerianine

Default Structure
ChEBI IDCHEBI:9922
ChEBI NameValerianine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H15NO
Net Charge0
Average Mass177.247
Monoisotopic Mass177.11536
SMILESCOCc1cncc2c1CC[C@@H]2C
InChIInChI=1S/C11H15NO/c1-8-3-4-10-9(7-13-2)5-12-6-11(8)10/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1
InChIKeyZRJLCVQCZVXUFB-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
Valerianine (CHEBI:9922) is a pyridines (CHEBI:26421)
Synonym  Source
ValerianineKEGG COMPOUND
Manual XrefsDatabases
C00001986KNApSAcK
C09991KEGG COMPOUND
Registry NumbersSources
CAS:30634-66-3KEGG COMPOUND