CHEBI:100971 - LSM-12344

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12344
ChEBI ID CHEBI:100971
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H28N2O5
Net Charge 0
Average Mass 460.523
Monoisotopic Mass 460.19982
InChI InChI=1S/C27H28N2O5/c1-33-23-11-7-6-10-18(23)19-12-13-21-25-24(27(32)34-2)20(16-30)22(15-29(21)26(19)31)28(25)14-17-8-4-3-5-9-17/h3-13,20,22,24-25,30H,14-16H2,1-2H3/t20-,22-,24+,25+/m1/s1
InChIKey VLQJEDUGSYPRCL-KAKDDGLXSA-N
SMILES COC1=CC=CC=C1C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4CC5=CC=CC=C5)CN3C2=O)CO)C(=O)OC
ChEBI Ontology
Outgoing LSM-12344 (CHEBI:100971) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12344 LINCS
View more database links