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(Q105129473)
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English
9-azabicyclo[3.3.1]nonan-3-one
group of stereoisomers with the chemical formula C₈H₁₃NO
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
139.099714036
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₃NO
0 references
canonical SMILES
O=C1CC2NC(C1)CCC2
0 references
found in taxon
Punica granatum
1 reference
stated in
Punica granatum (pomegranate) and its potential for prevention and treatment of inflammation and cancer
Identifiers
InChI
InChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2
0 references
InChIKey
JIYPUEZSSJAXBO-UHFFFAOYSA-N
0 references
CAS Registry Number
4390-39-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
145745
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
179646
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2
UniChem compound ID
25661728
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0029613
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JIYPUEZSSJAXBO-UHFFFAOYSA-N
KNApSAcK ID
C00055082
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JIYPUEZSSJAXBO-UHFFFAOYSA-N
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