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(Q105146054)
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English
Dihydrodioscorine
group of stereoisomers with the chemical formula C₁₃H₂₁NO₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
223.157228912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₁NO₂
0 references
canonical SMILES
O=C1OC2(CC3N(C)CC2CC3)CC(C)C1
0 references
found in taxon
Dioscorea dumetorum
2 references
stated in
A Convulsant Alkaloid of Dioscorea dumetorum
stated in
418. An alkaloid of Dioscorea hispida, Dennstedt. Part I. The lactone ring
Identifiers
InChI
InChI=1S/C13H21NO2/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h9-11H,3-8H2,1-2H3
0 references
InChIKey
KUBGFNFNLFGTGA-UHFFFAOYSA-N
0 references
CAS Registry Number
96552-66-8
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
15931602
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KUBGFNFNLFGTGA-UHFFFAOYSA-N
ChEBI ID
184336
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/c1-9-5-12(15)16-13(6-9)7-11-4-3-10(13)8-14(11)2/h9-11H,3-8H2,1-2H3
UniChem compound ID
31999384
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID101110667
1 reference
matched by identifier from
InChIKey
InChIKey
KUBGFNFNLFGTGA-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0029828
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KUBGFNFNLFGTGA-UHFFFAOYSA-N
KNApSAcK ID
C00055117
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KUBGFNFNLFGTGA-UHFFFAOYSA-N
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