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CHEBI:4994 - Febrifugine

ChEBI IDCHEBI:4994
ChEBI NameFebrifugine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H19N3O3
Net Charge0
Average Mass301.346
Monoisotopic Mass301.14264
SMILES[H][C@@]1(CC(=O)Cn2cnc3ccccc3c2=O)NCCC[C@H]1O
InChIInChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m0/s1
InChIKeyFWVHWDSCPKXMDB-LSDHHAIUSA-N
ChEBI Ontology
Outgoing Relation(s)
Febrifugine (CHEBI:4994) is a quinazolines (CHEBI:38530)
Synonym  Source
FebrifugineKEGG COMPOUND
Manual XrefsDatabases
C10677KEGG COMPOUND
C00002160KNApSAcK
Registry NumbersSources
CAS:24159-07-7KEGG COMPOUND