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CHEBI:68309 - 1-epijosephinine Trifluoroacetic acid
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ChEBI Name
1-epijosephinine Trifluoroacetic acid
ChEBI ID
CHEBI:68309
Definition
A natural product found in
Crinum asiaticum
var.
sinicum
.
Stars
This entity has been manually annotated by a third party.
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Formula
C20H22F3NO7
Net Charge
0
Average Mass
445.38640
Monoisotopic Mass
445.13484
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
SMILES
OC(=O)C(F)(F)F.[H][C@@]12CC[C@H](OC(C)=O)[C@H](O)[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
1-epijosephinine Trifluoroacetic acid (
CHEBI:68309
)
has role
metabolite (
CHEBI:25212
)
1-epijosephinine Trifluoroacetic acid (
CHEBI:68309
)
is a
organic molecular entity (
CHEBI:50860
)
Citation
Type
Source
21314165
PubMed citation
Europe PMC