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(Q82224656)
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2-pentanoylbenzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
206.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄O₃
0 references
canonical SMILES
CCCCC(=O)C1=CC=CC=C1C(=O)O
0 references
found in taxon
Angelica sinensis
1 reference
stated in
Liquid chromatographic–electrospray mass spectrometric study of the phthalides of Angelica sinensis and chemical changes of Z-ligustilide
Identifiers
InChI
InChI=1S/C12H14O3/c1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)
0 references
InChIKey
SWAMOIJQDQZLRX-UHFFFAOYSA-N
0 references
CAS Registry Number
550-37-8
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PubChem CID
5315165
1 reference
matched by identifier from
InChIKey
InChIKey
SWAMOIJQDQZLRX-UHFFFAOYSA-N
UniChem compound ID
26024322
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50415685
1 reference
matched by identifier from
InChIKey
InChIKey
SWAMOIJQDQZLRX-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20366534
0 references
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