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CHEBI:94502 - LSM-5284

ChEBI IDCHEBI:94502
ChEBI NameLSM-5284
Stars
DownloadsMolfile
FormulaC45H54N4O8
Net Charge0
Average Mass778.947
Monoisotopic Mass778.39416
SMILESCCC1=C[C@@H]2CN(C1)Cc1c(nc3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2
InChIInChI=1S/C45H54N4O8/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3/t28-,37-,38+,39+,42-,43+,44-,45-/m0/s1
InChIKeyGBABOYUKABKIAF-JEEMQKELSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
LSM-5284 (CHEBI:94502) is a vinca alkaloid (CHEBI:27288)
Manual XrefsDatabases
LSM-5284LINCS