CHEBI:68312 - powelline Trifluoroacetic acid

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ChEBI Name powelline Trifluoroacetic acid
ChEBI ID CHEBI:68312
Definition A natural product found in Crinum asiaticum var. sinicum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H20F3NO6
Net Charge 0
Average Mass 415.36040
Monoisotopic Mass 415.12427
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
SMILES OC(=O)C(F)(F)F.[H][C@@]12C[C@@H](O)C=C[C@]11CCN2Cc2c(OC)c3OCOc3cc12
Metabolite of Species Details
Crinum asiaticum var. sinicum (NCBI:txid223245) Found in leaf (BTO:0000713). 95% ethanolic extract of dried, powdered leaves See: PubMed
Crinum asiaticum var. sinicum (NCBI:txid223245) Found in bulb (BTO:0000159). 95% ethanolic extract of dried, powdered leaves See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
C00024429 KNApSAcK
C12163 KEGG COMPOUND
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Registry Number Type Source
7363-25-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21314165 PubMed citation Europe PMC
Last Modified
04 August 2014