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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:9439 - tentoxin
Main
ChEBI Ontology
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ChEBI Name
tentoxin
ChEBI ID
CHEBI:9439
Stars
This entity has been manually annotated by a third party.
Secondary ChEBI IDs
CHEBI:46046
Supplier Information
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Molfile
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Molfile
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Formulae
C22H30N4O4
C22H30N4O4
Net Charge
0
Average Mass
414.506
Monoisotopic Mass
414.22671
InChI
InChI=1S/C22H30N4O4/c1-
14(2)
11-
17-
22(30)
26(5)
18(12-
16-
9-
7-
6-
8-
10-
16)
21(29)
23-
13-
19(27)
25(4)
15(3)
20(28)
24-
17/h6-
10,12,14-
15,17H,11,13H2,1-
5H3,(H,23,29)
(H,24,28)
/b18-
12-
/t15-
,17-
/m0/s1
InChIKey
SIIRBDOFKDACOK-LFXZBHHUSA-N
SMILES
C/1(\N(C([C@@H](NC([C@H](C)N(C(CNC1=O)=O)C)=O)CC(C)C)=O)C)=C\C2=CC=CC=C2
ChEBI Ontology
Outgoing
tentoxin (
CHEBI:9439
)
is a
lactam (
CHEBI:24995
)
Synonyms
Sources
TENTOXIN
PDBeChem
Tentoxin
KEGG COMPOUND
Manual Xrefs
Databases
C00001521
KNApSAcK
C08441
KEGG COMPOUND
TTX
PDBeChem
View more database links
Registry Number
Type
Source
28540-82-1
CAS Registry Number
KEGG COMPOUND
Last Modified
22 March 2019