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CHEBI:125454 - LSM-36946

ChEBI IDCHEBI:125454
ChEBI NameLSM-36946
Stars
DownloadsMolfile
FormulaC46H58N4O9
Net Charge0
Average Mass810.989
Monoisotopic Mass810.42038
SMILESCCC1(O)CC2CN(CCc3c(nc4ccccc34)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(=O)OC)C(OC(C)=O)C5(CC)C=CCN6CCC43C65)C2)C1
InChIInChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3
InChIKeyJXLYSJRDGCGARV-UHFFFAOYSA-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-36946 (CHEBI:125454) is a vinca alkaloid (CHEBI:27288)
Manual XrefsDatabases
LSM-36946LINCS