CHEBI:95146 - LSM-6418

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-6418
ChEBI ID CHEBI:95146
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H24N2O3
Net Charge 0
Average Mass 352.428
Monoisotopic Mass 352.17869
InChI InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19?/m0/s1
InChIKey GRTOGORTSDXSFK-WADGIJBFSA-N
SMILES C[C@H]1[C@@H]2CN3CCC4=C(C3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing LSM-6418 (CHEBI:95146) is a yohimban alkaloid (CHEBI:27358)
Manual Xref Database
LSM-6418 LINCS
View more database links