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(Q104938929)
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English
Acetic acid 4-[[(E)-3,7-dimethyl-2,6-octadienyl]oxy]cinnamyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
mass
328.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₃
0 references
canonical SMILES
O=C(OCC=CC1=CC=C(OCC=C(C)CCC=C(C)C)C=C1)C
0 references
isomeric SMILES
CC(=O)OC/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)cc1
1 reference
based on heuristic
inferred from InChI
found in taxon
Millettia usaramensis
1 reference
stated in
Rotenoids, isoflavones and chalcones from the stem bark of Millettia usaramensis subspecies usaramensis
Identifiers
InChI
InChI=1S/C21H28O3/c1-17(2)7-5-8-18(3)14-16-24-21-12-10-20(11-13-21)9-6-15-23-19(4)22/h6-7,9-14H,5,8,15-16H2,1-4H3/b9-6+,18-14+
0 references
InChIKey
BNNYBSQTXXCEER-RZZDJWKDSA-N
0 references
PubChem CID
101938913
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BNNYBSQTXXCEER-RZZDJWKDSA-N
UniChem compound ID
97565179
1 reference
stated in
UniChem
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