EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91981 - LSM-1944

ChEBI IDCHEBI:91981
ChEBI NameLSM-1944
Stars
DownloadsMolfile
FormulaC18H19NO5
Net Charge0
Average Mass329.352
Monoisotopic Mass329.12632
SMILESCO[C@H]1C=C2CCN(C)[C@H]2C2c3cc4c(cc3C(=O)O[C@@H]21)OCO4
InChIInChI=1S/C18H19NO5/c1-19-4-3-9-5-14(21-2)17-15(16(9)19)10-6-12-13(23-8-22-12)7-11(10)18(20)24-17/h5-7,14-17H,3-4,8H2,1-2H3/t14-,15?,16+,17+/m0/s1
InChIKeyDITOENWBJBNZSL-ORBLICNNSA-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-1944 (CHEBI:91981) is a alkaloid (CHEBI:22315)
Manual XrefsDatabases
LSM-1944LINCS