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CHEBI:2730 - Aniflorine

ChEBI IDCHEBI:2730
ChEBI NameAniflorine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H21N3O3
Net Charge0
Average Mass351.406
Monoisotopic Mass351.15829
SMILESCOc1cccc2c(=O)n3c(nc12)[C@](O)(c1ccccc1N(C)C)CC3
InChIInChI=1S/C20H21N3O3/c1-22(2)15-9-5-4-8-14(15)20(25)11-12-23-18(24)13-7-6-10-16(26-3)17(13)21-19(20)23/h4-10,25H,11-12H2,1-3H3/t20-/m1/s1
InChIKeyHSGFCNFPJXZBFJ-HXUWFJFHSA-N
ChEBI Ontology
Outgoing Relation(s)
Aniflorine (CHEBI:2730) is a quinazolines (CHEBI:38530)
Synonym  Source
AniflorineKEGG COMPOUND
Manual XrefsDatabases
C10635KEGG COMPOUND
C00002132KNApSAcK
Registry NumbersSources
CAS:29048-81-5KEGG COMPOUND