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8-Nitroguanine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical structure
8-Nitroguanine.svg
174 × 103; 21 KB
0 references
mass
196.034487988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₅H₄N₆O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
N=c1nc(O)c2nc([N+](=O)[O-])[nH]c2[nH]1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C5H4N6O3/c6-4-8-2-1(3(12)10-4)7-5(9-2)11(13)14/h(H4,6,7,8,9,10,12)
0 references
InChIKey
IYHJRKNFFYAOGE-UHFFFAOYSA-N
0 references
CAS Registry Number
168701-80-2
0 references
ChemSpider ID
3325872
0 references
PubChem CID
135482067
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
IYHJRKNFFYAOGE-UHFFFAOYSA-N
ChEBI ID
188557
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C5H4N6O3/c6-4-8-2-1(3(12)10-4)7-5(9-2)11(13)14/h(H4,6,7,8,9,10,12)
UniChem compound ID
22983328
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40399445
1 reference
matched by identifier from
InChIKey
InChIKey
IYHJRKNFFYAOGE-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70350302
0 references
Human Metabolome Database ID
HMDB0247453
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IYHJRKNFFYAOGE-UHFFFAOYSA-N
Probes And Drugs ID
PD060420
0 references
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8-Nitroguanin
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