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(Q105341496)
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English
2-oxo-2-phenylethyl 11-cycloheptylundecanoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
400.29774514
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₄₀O₃
0 references
canonical SMILES
O=C(OCC(=O)C=1C=CC=CC1)CCCCCCCCCCC2CCCCCC2
0 references
found in taxon
Alicyclobacillus cycloheptanicus
1 reference
stated in
Biosynthetic Studies of omega-Cycloheptyl Fatty Acids in Alicyclobacillus cycloheptanicus. Formation of Cycloheptanecarboxylic Acid from Phenylacetic Acid
Identifiers
InChI
InChI=1S/C26H40O3/c27-25(24-19-13-9-14-20-24)22-29-26(28)21-15-6-4-2-1-3-5-10-16-23-17-11-7-8-12-18-23/h9,13-14,19-20,23H,1-8,10-12,15-18,21-22H2
0 references
InChIKey
XTDPDKYJTZDVGU-UHFFFAOYSA-N
0 references
PubChem CID
21628557
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XTDPDKYJTZDVGU-UHFFFAOYSA-N
UniChem compound ID
60840865
1 reference
stated in
UniChem
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