CHEBI:91903 - LSM-1839

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ChEBI Name LSM-1839
ChEBI ID CHEBI:91903
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H26N2O3
Net Charge 0
Average Mass 414.497
Monoisotopic Mass 414.19434
InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2
InChIKey WIYUZYBFCWCCQJ-UHFFFAOYSA-N
SMILES C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing LSM-1839 (CHEBI:91903) is a morphinane alkaloid (CHEBI:25418)
Manual Xref Database
LSM-1839 LINCS
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