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(Q105126679)
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English
Dumetorine
group of stereoisomers with the chemical formula C₁₃H₂₁NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
piperidine alkaloids
1 reference
inferred from
piperidine alkaloids
mass
223.157228912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₁NO₂
0 references
canonical SMILES
O=C1OC(CC(=C1)C)CC2N(C)CCCC2
0 references
found in taxon
Dioscorea dumetorum
1 reference
stated in
A Convulsant Alkaloid of Dioscorea dumetorum
Identifiers
InChI
InChI=1S/C13H21NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h8,11-12H,3-7,9H2,1-2H3
0 references
InChIKey
JFFVCKNYHMIHTF-UHFFFAOYSA-N
0 references
PubChem CID
13858447
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
JFFVCKNYHMIHTF-UHFFFAOYSA-N
ChEBI ID
186660
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H21NO2/c1-10-7-12(16-13(15)8-10)9-11-5-3-4-6-14(11)2/h8,11-12H,3-7,9H2,1-2H3
UniChem compound ID
32015594
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0030268
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JFFVCKNYHMIHTF-UHFFFAOYSA-N
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