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(Q105222682)
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English
(4aS,8S,8aR)-8,8a-dimethyl-3-oxo-4,4a,5,6,7,8-hexahydronaphthalene-2-carbaldehyde
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
10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al
1 reference
based on heuristic
inferred from SMILES
mass
206.130679816
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
3,4,4aalpha,5,6,7,8,8a-Octahydro-8alpha,8aalpha-dimethyl-3-oxonaphthalene-2-carbaldehyde
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₈O₂
0 references
canonical SMILES
O=CC1=CC2(C)C(C)CCCC2CC1=O
0 references
isomeric SMILES
C[C@H]1CCC[C@H]2CC(=O)C(C=O)=C[C@]12C
0 references
found in taxon
Ligularia muliensis
1 reference
stated in
Terpenoids from the Roots ofLigularia muliensis
Identifiers
InChI
InChI=1S/C13H18O2/c1-9-4-3-5-11-6-12(15)10(8-14)7-13(9,11)2/h7-9,11H,3-6H2,1-2H3/t9-,11-,13+/m0/s1
0 references
InChIKey
QJHOMNLQPDCBJF-XHVZSJERSA-N
0 references
PubChem CID
163194525
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QJHOMNLQPDCBJF-XHVZSJERSA-N
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