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(Q105035389)
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English
5-Methyl-2-(1-methylethenyl)-4-hexen-1-ol acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
2,3,6-trimethylheptane monoterpenoid
0 references
mass
196.14632988
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₀O₂
0 references
canonical SMILES
O=C(OCC(C(=C)C)CC=C(C)C)C
0 references
isomeric SMILES
C=C(C)[C@@H](CC=C(C)C)COC(C)=O
0 references
found in taxon
Lavandula angustifolia
1 reference
stated in
Chemical composition of the essential oil of Lavandula angustifolia from Xinjiang, China
Ophryosporus charua
1 reference
stated in
Benzofurans, benzofuran dimers and other constituents from Ophryosporus charua
Peucedanum paniculatum
1 reference
stated in
Beta-cyclolavandulyl and beta-isocyclolavandulyl esters from Peucedanum paniculatum L., an endemic species to Corsica
Artemisia annua
1 reference
stated in
GC MS Analysis of the Volatile Constituents of Essential Oil and Aromatic Waters of Artemisia Annua L. at Different Developmental Stages
Murraya paniculata
1 reference
stated in
Essential oil composition ofMurraya exotica from the plains of northern India
Identifiers
InChI
InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3/t12-/m0/s1
0 references
InChIKey
HYNGAVZPWWXQIU-LBPRGKRZSA-N
0 references
CAS Registry Number
20777-39-3
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
14268092
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
HYNGAVZPWWXQIU-LBPRGKRZSA-N
UniChem compound ID
11578762
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP007164
1 reference
InChIKey
HYNGAVZPWWXQIU-LBPRGKRZSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID6051932
1 reference
matched by identifier from
InChIKey
InChIKey
HYNGAVZPWWXQIU-LBPRGKRZSA-N
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