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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:79999 - XCT 790
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ChEBI Ontology
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ChEBI Name
XCT 790
ChEBI ID
CHEBI:79999
Stars
This entity has been manually annotated by a third party.
Supplier Information
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SDF
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Formula
C23H13F9N4O3S
Net Charge
0
Average Mass
596.42500
Monoisotopic Mass
596.05646
InChI
InChI=1S/C23H13F9N4O3S/c1-
38-
17-
7-
11(6-
13(9-
33)
18(37)
34-
20-
36-
35-
19(40-
20)
23(30,31)
32)
2-
5-
16(17)
39-
10-
12-
3-
4-
14(21(24,25)
26)
8-
15(12)
22(27,28)
29/h2-
8H,10H2,1H3,(H,34,36,37)
/b13-
6+
InChIKey
HQFNFOOGGLSBBT-AWNIVKPZSA-N
SMILES
COc1cc(ccc1OCc1ccc(cc1C(F)(F)F)C(F)(F)F)\C=C(/C#N)C(=O)Nc1nnc(s1)C(F)(F)F
ChEBI Ontology
Outgoing
XCT 790 (
CHEBI:79999
)
is a
cinnamamides (
CHEBI:23247
)
Manual Xref
Database
C15641
KEGG COMPOUND
View more database links
Registry Number
Type
Source
725247-18-7
CAS Registry Number
KEGG COMPOUND