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(Q104912603)
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English
4-[(E)-1,5-Dimethyl-3-oxo-1-hexenyl]benzoic acid methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
bisabolanes
0 references
mass
260.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₀O₃
0 references
canonical SMILES
O=C(OC)C1=CC=C(C=C1)C(=CC(=O)CC(C)C)C
0 references
isomeric SMILES
COC(=O)c1ccc(/C(C)=C/C(=O)CC(C)C)cc1
0 references
found in taxon
Pseudotsuga sinensis var. sinensis
1 reference
stated in
Terpenoids and flavonoids from Pseudotsuga wilsoniana
Identifiers
InChI
InChI=1S/C16H20O3/c1-11(2)9-15(17)10-12(3)13-5-7-14(8-6-13)16(18)19-4/h5-8,10-11H,9H2,1-4H3/b12-10+
0 references
InChIKey
AIAXUVMHQWTNBT-ZRDIBKRKSA-N
0 references
PubChem CID
15834297
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97481769
1 reference
stated in
UniChem
KNApSAcK ID
C00048953
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AIAXUVMHQWTNBT-ZRDIBKRKSA-N
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