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CHEBI:68312 - powelline Trifluoroacetic acid
| Formula | C17H19NO4.C2HF3O2 |
| Net Charge | 0 |
| Average Mass | 415.364 |
| Monoisotopic Mass | 415.12427 |
| SMILES | O=C(O)C(F)(F)F.[H][C@@]12C[C@@H](O)C=C[C@]13CCN2Cc1c3cc2c(c1OC)OCO2 |
| InChI | InChI=1S/C17H19NO4.C2HF3O2/c1-20-15-11-8-18-5-4-17(3-2-10(19)6-14(17)18)12(11)7-13-16(15)22-9-21-13;3-2(4,5)1(6)7/h2-3,7,10,14,19H,4-6,8-9H2,1H3;(H,6,7)/t10-,14+,17+;/m0./s1 |
| InChIKey | TYQNCTKRDNOEKZ-NKDGEMLNSA-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 | |
| bulb (BTO:0000159) | 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) |
| powelline Trifluoroacetic acid (CHEBI:68312) has role metabolite (CHEBI:25212) |
| powelline Trifluoroacetic acid (CHEBI:68312) is a organic molecular entity (CHEBI:50860) |
| Synonym | Source |
|---|---|
| Crinan-3-ol, 1,2-didehydro-7-methoxy-, (3alpha)- Trifluoroacetic acid | ChEBI |
| Citations |
|---|