CHEBI:101587 - LSM-12950

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12950
ChEBI ID CHEBI:101587
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H34N2O4
Net Charge 0
Average Mass 450.571
Monoisotopic Mass 450.25186
InChI InChI=1S/C27H34N2O4/c1-18-14-29(19(2)16-30)27(32)24-11-7-6-10-23(24)22-9-5-4-8-21(22)17-33-25(18)15-28(3)26(31)20-12-13-20/h4-11,18-20,25,30H,12-17H2,1-3H3/t18-,19+,25+/m0/s1
InChIKey GOHLAUSVLSRLLT-OSWQYVSFSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4CC4)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-12950 (CHEBI:101587) is a benzenoid aromatic compound (CHEBI:33836)
Manual Xref Database
LSM-12950 LINCS
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