CHEBI:91526 - LSM-1313

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ChEBI Name LSM-1313
ChEBI ID CHEBI:91526
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C40H43N3O6
Net Charge 0
Average Mass 661.787
Monoisotopic Mass 661.31519
InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2
InChIKey APSUXPSYBJVPPS-UHFFFAOYSA-N
SMILES C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C9C%10%11CCN(C(C%10(C8)O)CC%12=C%11C(=C(C=C%12)O)O9)CC%13CC%13
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-1313 (CHEBI:91526) is a morphinane alkaloid (CHEBI:25418)
Manual Xref Database
LSM-1313 LINCS
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