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English
Theaspirone A
group of stereoisomers with the chemical formula C₁₃H₂₀O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
megastigmane
1 reference
based on heuristic
inferred from SMILES
mass
208.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₂₀O₂
0 references
canonical SMILES
O=C1C=C(C)C2(OC(C)CC2)C(C)(C)C1
0 references
found in taxon
Nicotiana tabacum
1 reference
stated in
A Chemical Study of Burley Tobacco Flavour (Nicotiana tabacum L.). I. Volatile to medium-volatile constituents (b.p. ≦ 84°/0.001 Torr
Identifiers
InChI
InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3
0 references
InChIKey
AXQMCYYCOKLZPP-UHFFFAOYSA-N
0 references
PubChem CID
5321925
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AXQMCYYCOKLZPP-UHFFFAOYSA-N
ChEBI ID
182980
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H20O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10H,5-6,8H2,1-4H3
UniChem compound ID
26789735
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035228
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AXQMCYYCOKLZPP-UHFFFAOYSA-N
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