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CHEBI:131140 - LSM-42688

ChEBI IDCHEBI:131140
ChEBI NameLSM-42688
Stars
DownloadsMolfile
FormulaC26H27N3O4
Net Charge0
Average Mass445.519
Monoisotopic Mass445.20016
SMILESCC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1
InChIInChI=1S/C26H27N3O4/c1-23(2)10-8-15-17(33-23)7-6-14-16-12-26-18(24(3,4)20(16)29(32)19(14)15)13-25(21(30)27-26)9-5-11-28(25)22(26)31/h6-8,10,12,18H,5,9,11,13H2,1-4H3,(H,27,30)/t18-,25-,26-/m0/s1
InChIKeyALXLLOQTGLPCFG-ATANMQQVSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-42688 (CHEBI:131140) is a 1-benzopyran (CHEBI:38443)
Manual XrefsDatabases
LSM-42688LINCS