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CHEBI:194501 - vaillantine
| Formula | C20H23NO5 |
| Net Charge | 0 |
| Average Mass | 357.406 |
| Monoisotopic Mass | 357.15762 |
| SMILES | COc1ccc2c(c1OC)CN(C)CCc1cc(O)c(O)cc1C(=O)C2 |
| InChI | InChI=1S/C20H23NO5/c1-21-7-6-13-9-17(23)18(24)10-14(13)16(22)8-12-4-5-19(25-2)20(26-3)15(12)11-21/h4-5,9-10,23-24H,6-8,11H2,1-3H3 |
| InChIKey | KERJSZZMJYDUGO-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| 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) |
| vaillantine (CHEBI:194501) is a aromatic ether (CHEBI:35618) |
| vaillantine (CHEBI:194501) is a cyclic acetal (CHEBI:59770) |
| vaillantine (CHEBI:194501) is a cyclic ketone (CHEBI:3992) |
| vaillantine (CHEBI:194501) is a dibenzazecine alkaloid (CHEBI:38608) |
| vaillantine (CHEBI:194501) is a organic heterotetracyclic compound (CHEBI:38163) |
| vaillantine (CHEBI:194501) is a tertiary amino compound (CHEBI:50996) |
| UniProt Name | Source |
|---|---|
| vaillantine | UniProt |
| Citations |
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