EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C23H21ClN2O5 |
| Net Charge | 0 |
| Average Mass | 440.883 |
| Monoisotopic Mass | 440.11390 |
| SMILES | Cc1c(CC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(=O)oc2cc(O)c(Cl)cc12 |
| InChI | InChI=1S/C23H21ClN2O5/c1-12-15-6-17(24)19(27)8-20(15)31-23(30)16(12)7-22(29)25-9-13-5-14(11-25)18-3-2-4-21(28)26(18)10-13/h2-4,6,8,13-14,27H,5,7,9-11H2,1H3/t13-,14+/m1/s1 |
| InChIKey | RAXNGZMLLUDZAC-KGLIPLIRSA-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-16753 (CHEBI:105390) is a alkaloid (CHEBI:22315) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16753 | LINCS |