CHEBI:130686 - LSM-42235

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-42235
ChEBI ID CHEBI:130686
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H30N2O4
Net Charge 0
Average Mass 446.539
Monoisotopic Mass 446.22056
InChI InChI=1S/C27H30N2O4/c30-18-24-26(21-10-8-20(9-11-21)7-6-19-4-2-1-3-5-19)23-16-28(17-25(31)29(23)24)27(32)22-12-14-33-15-13-22/h1-11,22-24,26,30H,12-18H2/t23-,24+,26-/m1/s1
InChIKey POYXIPLFSJWUBD-RMTZWNOUSA-N
SMILES C1COCCC1C(=O)N2C[C@@H]3[C@H]([C@@H](N3C(=O)C2)CO)C4=CC=C(C=C4)C=CC5=CC=CC=C5
ChEBI Ontology
Outgoing LSM-42235 (CHEBI:130686) is a stilbenoid (CHEBI:26776)
Manual Xref Database
LSM-42235 LINCS
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