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CHEBI:94351 - LSM-5010

ChEBI IDCHEBI:94351
ChEBI NameLSM-5010
Stars
DownloadsMolfile
FormulaC29H39NO9
Net Charge0
Average Mass545.629
Monoisotopic Mass545.26248
SMILESCOC1=C[C@]23CCCN2CCc2cc4c(cc2[C@]3(C)C1OC(=O)[C@@](O)(CCCC(C)(C)O)CC(=O)O)OCO4
InChIInChI=1S/C29H39NO9/c1-26(2,34)8-5-9-28(35,16-23(31)32)25(33)39-24-22(36-4)15-29-10-6-11-30(29)12-7-18-13-20-21(38-17-37-20)14-19(18)27(24,29)3/h13-15,24,34-35H,5-12,16-17H2,1-4H3,(H,31,32)/t24?,27-,28-,29+/m1/s1
InChIKeyDJIVDDPFKDEQIR-XSEHADPMSA-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-5010 (CHEBI:94351) is a benzazepine alkaloid (CHEBI:38523)
LSM-5010 (CHEBI:94351) is a cyclic acetal (CHEBI:59770)
Manual XrefsDatabases
LSM-5010LINCS