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CHEBI:78734 - tropan-3α-yl 3-hydroxy-2-phenylpropanoate
| Formula | C17H23NO3 |
| Net Charge | 0 |
| Average Mass | 289.375 |
| Monoisotopic Mass | 289.16779 |
| SMILES | CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2 |
| InChI | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? |
| InChIKey | RKUNBYITZUJHSG-SPUOUPEWSA-N |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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) |
| tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) has functional parent tropic acid (CHEBI:30765) |
| tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) has functional parent tropine (CHEBI:15884) |
| tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) has role plant metabolite (CHEBI:76924) |
| tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) is a propanoate ester (CHEBI:36243) |
| tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) is a tropane alkaloid (CHEBI:37332) |
| tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) is conjugate base of atropinium (CHEBI:57858) |
| Incoming Relation(s) |
| (R)-atropine (CHEBI:48882) is a tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) |
| (S)-atropine (CHEBI:17486) is a tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) |
| atropinium (CHEBI:57858) is conjugate acid of tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) |
| IUPAC Name |
|---|
| (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate |
| Synonym | Source |
|---|---|
| dl-Hyoscyamine | KEGG COMPOUND |