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CHEBI:94606 - LSM-5535

ChEBI IDCHEBI:94606
ChEBI NameLSM-5535
Stars
DownloadsMolfile
FormulaC43H53NO14
Net Charge0
Average Mass807.890
Monoisotopic Mass807.34661
SMILESCC(=O)O[C@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
InChIInChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27+,28-,30+,31-,32-,33+,35+,41-,42-,43-/m1/s1
InChIKeyZDZOTLJHXYCWBA-KGPXQYHHSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-5535 (CHEBI:94606) is a taxane diterpenoid (CHEBI:50367)
Manual XrefsDatabases
LSM-5535LINCS