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CHEBI:68309 - 1-epijosephinine Trifluoroacetic acid
| Formula | C18H21NO5.C2HF3O2 |
| Net Charge | 0 |
| Average Mass | 445.390 |
| Monoisotopic Mass | 445.13484 |
| SMILES | O=C(O)C(F)(F)F.[H][C@@]12CC[C@H](OC(C)=O)[C@H](O)[C@]13CCN2Cc1cc2c(cc13)OCO2 |
| InChI | InChI=1S/C18H21NO5.C2HF3O2/c1-10(20)24-13-2-3-16-18(17(13)21)4-5-19(16)8-11-6-14-15(7-12(11)18)23-9-22-14;3-2(4,5)1(6)7/h6-7,13,16-17,21H,2-5,8-9H2,1H3;(H,6,7)/t13-,16+,17-,18-;/m0./s1 |
| InChIKey | VIBZMUTTWAQWSP-XUEOZKIVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Crinum asiaticum var. sinicum (ncbitaxon:223245) | leaf (BTO:0000713) | PubMed (21314165) | 95% ethanolic extract of dried, powdered leaves |
| 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) |
| 1-epijosephinine Trifluoroacetic acid (CHEBI:68309) has role metabolite (CHEBI:25212) |
| 1-epijosephinine Trifluoroacetic acid (CHEBI:68309) is a organic molecular entity (CHEBI:50860) |
| Citations |
|---|