CHEBI:127999 - LSM-39555

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-39555
ChEBI ID CHEBI:127999
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H33N3O
Net Charge 0
Average Mass 439.593
Monoisotopic Mass 439.26236
InChI InChI=1S/C29H33N3O/c33-22-28-29(26-14-12-24(13-15-26)11-10-23-7-2-1-3-8-23)27-21-31(17-4-5-18-32(27)28)20-25-9-6-16-30-19-25/h1-3,6-16,19,27-29,33H,4-5,17-18,20-22H2/t27-,28+,29-/m1/s1
InChIKey ORVIWTYNJHNTDZ-SSBOKUKZSA-N
SMILES C1CCN2[C@H](CN(C1)CC3=CN=CC=C3)[C@H]([C@@H]2CO)C4=CC=C(C=C4)C=CC5=CC=CC=C5
ChEBI Ontology
Outgoing LSM-39555 (CHEBI:127999) is a stilbenoid (CHEBI:26776)
Manual Xref Database
LSM-39555 LINCS
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