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CHEBI:68314 - 2-O-acetylcrinamabine Trifluoroacetic acid
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ChEBI Ontology
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ChEBI Name
2-O-acetylcrinamabine Trifluoroacetic acid
ChEBI ID
CHEBI:68314
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
C20H22F3NO8
Net Charge
0
Average Mass
461.38580
Monoisotopic Mass
461.12975
InChI
InChI=1S/C18H21NO6.C2HF3O2/c1-
10(20)
25-
13-
2-
3-
18(22)
17(16(13)
21)
4-
5-
19(18)
8-
11-
6-
14-
15(7-
12(11)
17)
24-
9-
23-
14;3-
2(4,5)
1(6)
7/h6-
7,13,16,21-
22H,2-
5,8-
9H2,1H3;(H,6,7)
/t13-
,16-
,17+,18-
;/m0./s1
InChIKey
CBNKNPJYMOTYPO-RQOHTHCISA-N
SMILES
OC(=O)C(F)(F)F.CC(=O)O[C@H]1CC[C@@]2(O)N3CC[C@]2([C@H]1O)c1cc2OCOc2cc1C3
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
2-O-acetylcrinamabine Trifluoroacetic acid (
CHEBI:68314
)
has role
metabolite (
CHEBI:25212
)
2-O-acetylcrinamabine Trifluoroacetic acid (
CHEBI:68314
)
is a
organic molecular entity (
CHEBI:50860
)
Citation
Type
Source
21314165
PubMed citation
Europe PMC