CHEBI:100165 - LSM-11542

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-11542
ChEBI ID CHEBI:100165
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H36N2O5
Net Charge 0
Average Mass 468.586
Monoisotopic Mass 468.26242
InChI InChI=1S/C27H36N2O5/c1-18(2)34-27(32)28(5)15-25-19(3)14-29(20(4)16-30)26(31)24-13-9-8-12-23(24)22-11-7-6-10-21(22)17-33-25/h6-13,18-20,25,30H,14-17H2,1-5H3/t19-,20+,25-/m0/s1
InChIKey JTQSYHMCCHKQKK-DFIYOIEZSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)OC(C)C)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-11542 (CHEBI:100165) is a benzenoid aromatic compound (CHEBI:33836)
Manual Xref Database
LSM-11542 LINCS
View more database links