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(Q104912969)
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English
(2S,3R)-2-(3-Oxobutyl)-3-methyl-6-isopropylidenecyclohexanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-Nor-4,5-seco-7(11)-amorphene-4,6-dione
1 reference
based on heuristic
inferred from SMILES
mass
222.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₂₂O₂
0 references
canonical SMILES
O=C1C(=C(C)C)CCC(C)C1CCC(=O)C
0 references
isomeric SMILES
CC(=O)CC[C@@H]1C(=O)C(=C(C)C)CC[C@H]1C
0 references
found in taxon
Fabiana imbricata
1 reference
stated in
Sesquiterpenes from Fabiana imbricata
Identifiers
InChI
InChI=1S/C14H22O2/c1-9(2)12-7-5-10(3)13(14(12)16)8-6-11(4)15/h10,13H,5-8H2,1-4H3/t10-,13+/m1/s1
0 references
InChIKey
AITZTJGBRHUSDK-MFKMUULPSA-N
0 references
PubChem CID
14137320
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50904099
1 reference
stated in
UniChem
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