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CHEBI:100843 - LSM-12217

Default Structure
ChEBI IDCHEBI:100843
ChEBI NameLSM-12217
Stars
DownloadsMolfile
FormulaC25H28FN3O3
Net Charge0
Average Mass437.515
Monoisotopic Mass437.21147
SMILESO=C(NCc1ccc(F)cc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2
InChIInChI=1S/C25H28FN3O3/c26-17-8-6-15(7-9-17)12-27-24(31)22-19(14-30)20-13-29-21(23(22)28-20)11-10-18(25(29)32)16-4-2-1-3-5-16/h4,6-11,19-20,22-23,28,30H,1-3,5,12-14H2,(H,27,31)/t19-,20-,22+,23+/m1/s1
InChIKeyNDSDOOPKNRYURC-SCPDWHHUSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-12217 (CHEBI:100843) has functional parent β-amino acid (CHEBI:33706)
LSM-12217 (CHEBI:100843) is a organonitrogen compound (CHEBI:35352)
LSM-12217 (CHEBI:100843) is a organooxygen compound (CHEBI:36963)
Manual XrefsDatabases
LSM-12217LINCS