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CHEBI:100825 - LSM-12199

ChEBI IDCHEBI:100825
ChEBI NameLSM-12199
Stars
DownloadsMolfile
FormulaC21H22FN3O4
Net Charge0
Average Mass399.422
Monoisotopic Mass399.15943
SMILESCN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O4/c1-23(2)21(29)18-14(11-26)16-10-24-15(4-3-5-17(24)27)19(18)25(16)20(28)12-6-8-13(22)9-7-12/h3-9,14,16,18-19,26H,10-11H2,1-2H3/t14-,16-,18+,19+/m1/s1
InChIKeyBBMUHFCQMOUBDR-JZGRTCEGSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-12199 (CHEBI:100825) is a carbonyl compound (CHEBI:36586)
LSM-12199 (CHEBI:100825) is a organohalogen compound (CHEBI:17792)
Manual XrefsDatabases
LSM-12199LINCS