EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C40H43N3O6 |
| Net Charge | 0 |
| Average Mass | 661.799 |
| Monoisotopic Mass | 661.31519 |
| SMILES | Oc1ccc2c3c1OC1c4nc5c(c4CC4(O)C(C2)N(CC2CC2)CCC314)CC1(O)C2Cc3ccc(O)c4c3C1(CCN2CC1CC1)C5O4 |
| 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 |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-1313 (CHEBI:91526) is a morphinane alkaloid (CHEBI:25418) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1313 | LINCS |