Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
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
Type
Source
21314165
PubMed citation
Europe PMC
Last Modified
04 August 2014