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CHEBI:100404 - LSM-11779

ChEBI IDCHEBI:100404
ChEBI NameLSM-11779
Stars
DownloadsMolfile
FormulaC33H41N3O4
Net Charge0
Average Mass543.708
Monoisotopic Mass543.30971
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@H]1CN(C)Cc1ccc2c(c1)OCCN2C
InChIInChI=1S/C33H41N3O4/c1-23-18-36(24(2)21-37)33(38)29-12-8-7-11-28(29)27-10-6-5-9-26(27)22-40-32(23)20-34(3)19-25-13-14-30-31(17-25)39-16-15-35(30)4/h5-14,17,23-24,32,37H,15-16,18-22H2,1-4H3/t23-,24-,32-/m0/s1
InChIKeyLYDBHCHWWOEKQE-TWVHRYOLSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-11779 (CHEBI:100404) is a benzoxazine (CHEBI:46969)
Manual XrefsDatabases
LSM-11779LINCS