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CHEBI:3470 - Catharine
| Formula | C46H54N4O10 |
| Net Charge | 0 |
| Average Mass | 822.956 |
| Monoisotopic Mass | 822.38399 |
| SMILES | [H][C@@]12N(C)c3cc(OC)c([C@@]4(C(=O)OC)CC(=O)C/C(CC)=C\N(C=O)CCc5c4nc4ccccc54)cc3[C@@]13CCN1CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]2(O)C(=O)OC)[C@]13[H] |
| InChI | InChI=1S/C46H54N4O10/c1-8-28-21-29(53)24-45(41(54)58-6,37-31(15-19-49(25-28)26-51)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)57-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(60-27(3)52)46(39,56)42(55)59-7/h10-14,16,22-23,25-26,38-40,47,56H,8-9,15,17-21,24H2,1-7H3/b28-25-/t38-,39+,40+,43+,44+,45-,46-/m0/s1 |
| InChIKey | KLFYPJRLOIHTCM-CIJHUGPSSA-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) |
| Catharine (CHEBI:3470) is a alkaloid (CHEBI:22315) |
| Synonym | Source |
|---|---|
| Catharine | KEGG COMPOUND |