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(3S)-5-methoxy-3-propyl-3H-2-benzofuran-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-methoxy-3-propyl-3H-2-benzofuran-1-one
1 reference
based on heuristic
inferred from SMILES
mass
206.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄O₃
0 references
canonical SMILES
O=C1OC(C2=CC(OC)=CC=C12)CCC
0 references
isomeric SMILES
CCC[C@@H]1OC(=O)c2ccc(OC)cc21
0 references
found in taxon
Foeniculum vulgare
1 reference
stated in
Inhibition on human liver cytochrome P450 3A4 by constituents of fennel (Foeniculum vulgare): identification and characterization of a mechanism-based inactivator
Identifiers
InChI
InChI=1S/C12H14O3/c1-3-4-11-10-7-8(14-2)5-6-9(10)12(13)15-11/h5-7,11H,3-4H2,1-2H3/t11-/m0/s1
0 references
InChIKey
PZXQSCMHROVBFY-NSHDSACASA-N
0 references
PubChem CID
162994615
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PZXQSCMHROVBFY-NSHDSACASA-N
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