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(Q81988190)
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English
[4-Ethenyl-2,2,4-trimethyl-3-(prop-1-en-2-yl)cyclohexyl]methyl acetate
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
264.4037
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₈O₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=C)C1C(C(CCC1(C)C=C)COC(=O)C)(C)C
0 references
found in taxon
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
Valeriana officinalis
1 reference
stated in
Essential oil composition of Valeriana officinalis L. roots cultivated in Iran. Comparative analysis between supercritical CO2 extraction and hydrodistillation
Identifiers
InChI
InChI=1S/C17H28O2/c1-8-17(7)10-9-14(11-19-13(4)18)16(5,6)15(17)12(2)3/h8,14-15H,1-2,9-11H2,3-7H3
0 references
InChIKey
WVBWGEUOGUDKGD-UHFFFAOYSA-N
0 references
CAS Registry Number
60031-93-8
reason for deprecated rank
applies to other chemical entity
intended subject of deprecated statement
elemol acetate
0 references
22601-92-9
reason for deprecated rank
withdrawn identifier value
1 reference
stated in
SciFinder
84434-64-0
1 reference
stated in
SciFinder
PubChem CID
108410
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
50045194
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20904399
0 references
DTXSID50276056
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DSSTOX compound identifier
DTXCID80876366
0 references
DTXCID80227410
0 references
Human Metabolome Database ID
HMDB0303061
1 reference
based on heuristic
inferred from InChIKey
KNApSAcK ID
C00062385
1 reference
based on heuristic
inferred from InChIKey
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