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CHEBI:93737 - LSM-4236

ChEBI IDCHEBI:93737
ChEBI NameLSM-4236
Stars
DownloadsMolfile
FormulaC22H25NO6
Net Charge0
Average Mass399.443
Monoisotopic Mass399.16819
SMILESCOC1=C[C@@H]2C3=C([C@@H]2C1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c13
InChIInChI=1S/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24)/t12-,13+,18-/m1/s1
InChIKeyVKPVZFOUXUQJMW-FHSNZYRGSA-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-4236 (CHEBI:93737) is a acetamides (CHEBI:22160)
LSM-4236 (CHEBI:93737) is a alkaloid (CHEBI:22315)
LSM-4236 (CHEBI:93737) is a carbotricyclic compound (CHEBI:38032)
Manual XrefsDatabases
LSM-4236LINCS