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CHEBI:94992 - LSM-6216

ChEBI IDCHEBI:94992
ChEBI NameLSM-6216
Stars
DownloadsMolfile
FormulaC45H71NO12
Net Charge0
Average Mass818.058
Monoisotopic Mass817.49763
SMILESC=CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)C[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
InChIInChI=1S/C45H71NO12/c1-10-13-32-19-26(2)18-27(3)20-33(54-7)24-40-39(56-9)22-29(5)45(53,58-40)42(50)43(51)46-17-12-11-14-34(46)44(52)57-41(30(6)36(48)25-37(32)49)28(4)21-31-15-16-35(47)38(23-31)55-8/h10,19,21,27,29-36,38-41,47-48,53H,1,11-18,20,22-25H2,2-9H3/t27-,29+,30+,31-,32+,33-,34-,35+,36-,38+,39-,40+,41+,45+/m0/s1
InChIKeyKDEJOJSUWQBZSP-JPTMQBSTSA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-6216 (CHEBI:94992) is a lactam (CHEBI:24995)
LSM-6216 (CHEBI:94992) is a macrolide (CHEBI:25106)
Manual XrefsDatabases
LSM-6216LINCS