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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:82064 - Dinocton 6
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ChEBI Ontology
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ChEBI Name
Dinocton 6
ChEBI ID
CHEBI:82064
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C16H22N2O7
Net Charge
0
Average Mass
354.35510
Monoisotopic Mass
354.14270
InChI
InChI=1S/C16H22N2O7/c1-
11(2)
7-
5-
4-
6-
8-
12-
9-
13(17(20)
21)
10-
14(18(22)
23)
15(12)
25-
16(19)
24-
3/h9-
11H,4-
8H2,1-
3H3
InChIKey
ODOSVAWLEGXOPB-UHFFFAOYSA-N
SMILES
COC(=O)Oc1c(CCCCCC(C)C)cc(cc1[N+]([O-])=O)[N+]([O-])=O
ChEBI Ontology
Outgoing
Dinocton 6 (
CHEBI:82064
)
is a
C
-nitro compound (
CHEBI:35716
)
Manual Xrefs
Databases
2573
PPDB
C18922
KEGG COMPOUND
View more database links
Registry Number
Type
Source
32534-96-6
CAS Registry Number
KEGG COMPOUND