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(Q104932480)
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English
trans-alpha-Bergamatol acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
[5-(2,6-Dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methylpent-2-enyl] acetate
1 reference
based on heuristic
inferred from SMILES
mass
262.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₆O₂
0 references
canonical SMILES
O=C(OCC(=CCCC1(C)C2C(=CCC1C2)C)C)C
0 references
isomeric SMILES
CC(=O)OC/C(C)=C\CC[C@]1(C)[C@H]2CC=C(C)[C@@H]1C2
0 references
found in taxon
Artemisia annua
1 reference
stated in
Composition of the essential oil from the root of Artemisia annua
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/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)15-8-7-13(2)16(17)10-15/h6-7,15-16H,5,8-11H2,1-4H3/b12-6-/t15-,16-,17+/m0/s1
0 references
InChIKey
BDYQEBZJCFGMCH-PQNDISRJSA-N
0 references
PubChem CID
91747524
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BDYQEBZJCFGMCH-PQNDISRJSA-N
UniChem compound ID
100519844
1 reference
stated in
UniChem
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