CHEBI:68310 - vittatine Trifluoroacetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name vittatine Trifluoroacetic acid
ChEBI ID CHEBI:68310
Definition A natural product found in Crinum asiaticum var. sinicum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C18H18F3NO5
Net Charge 0
Average Mass 385.33440
Monoisotopic Mass 385.11371
InChI InChI=1S/C16H17NO3.C2HF3O2/c18-11-1-2-16-3-4-17(15(16)6-11)8-10-5-13-14(7-12(10)16)20-9-19-13;3-2(4,5)1(6)7/h1-2,5,7,11,15,18H,3-4,6,8-9H2;(H,6,7)/t11-,15+,16+;/m1./s1
InChIKey RNFWKMVEAZEOII-KFXFNPATSA-N
SMILES OC(=O)C(F)(F)F.[H][C@]12C[C@H](O)C=C[C@@]11CCN2Cc2cc3OCOc3cc12
Metabolite of Species Details
Crinum asiaticum var. sinicum (NCBI:txid223245) Found in leaf (BTO:0000713). 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 vittatine Trifluoroacetic acid (CHEBI:68310) has role metabolite (CHEBI:25212)
vittatine Trifluoroacetic acid (CHEBI:68310) is a organic molecular entity (CHEBI:50860)
Synonym Source
Crinan-3-ol, 1,2-didehydro-, (3beta,5alpha,13beta,19alpha)- Trifluoroacetic acid ChEBI
Manual Xrefs Databases
C00024446 KNApSAcK
C12193 KEGG COMPOUND
View more database links
Registry Number Type Source
510-69-0 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
21314165 PubMed citation Europe PMC
Last Modified
04 August 2014