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CHEBI:94348 - LSM-5004

ChEBI IDCHEBI:94348
ChEBI NameLSM-5004
Stars
DownloadsMolfile
FormulaC46H62N4O11
Net Charge0
Average Mass847.019
Monoisotopic Mass846.44151
SMILESCCC(C)N1CCC2(CC1)N=C1C(=C3NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@H](C)[C@@H](OC)C=CO[C@@]4(C)Oc5c(C)c(O)c(c1c5C4=O)C3=O)N2
InChIInChI=1S/C46H62N4O11/c1-12-24(4)50-19-17-46(18-20-50)48-34-31-32-39(54)28(8)42-33(31)43(56)45(10,61-42)59-21-16-30(58-11)25(5)41(60-29(9)51)27(7)38(53)26(6)37(52)22(2)14-13-15-23(3)44(57)47-36(40(32)55)35(34)49-46/h13-16,21-22,24-27,30,37-38,41,49,52-54H,12,17-20H2,1-11H3,(H,47,57)/t22-,24?,25+,26+,27+,30-,37-,38+,41+,45-/m0/s1
InChIKeyKTYFUEQGJABZDI-OUQGXSTASA-N
ChEBI Ontology
Outgoing Relation(s)
LSM-5004 (CHEBI:94348) is a azamacrocycle (CHEBI:52898)
LSM-5004 (CHEBI:94348) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-5004LINCS