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(Q115951711)
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English
3-Nonyl-1H-pyrazole
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
194.178298704
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₂N₂
0 references
canonical SMILES
N=1NC=CC1CCCCCCCCC
0 references
found in taxon
Houttuynia cordata
1 reference
stated in
Structure of an Antimicrobial Substance isolated from Houttuynia cordata Thunb
Identifiers
InChI
InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-11-13-14-12/h10-11H,2-9H2,1H3,(H,13,14)
0 references
InChIKey
DAVDEZKGACPNHN-UHFFFAOYSA-N
0 references
PubChem CID
24844218
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DAVDEZKGACPNHN-UHFFFAOYSA-N
ChEBI ID
179731
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H22N2/c1-2-3-4-5-6-7-8-9-12-10-11-13-14-12/h10-11H,2-9H2,1H3,(H,13,14)
UniChem compound ID
32023418
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID501315455
1 reference
matched by identifier from
InChIKey
InChIKey
DAVDEZKGACPNHN-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0034210
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DAVDEZKGACPNHN-UHFFFAOYSA-N
KNApSAcK ID
C00057519
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DAVDEZKGACPNHN-UHFFFAOYSA-N
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