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(Q105127403)
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English
(3S)-3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-butyl-3-hydroxy-4,5-dihydro-2-benzofuran-1-one
1 reference
based on heuristic
inferred from SMILES
mass
208.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₃
0 references
canonical SMILES
O=C1OC(O)(C2=C1C=CCC2)CCCC
0 references
isomeric SMILES
CCCC[C@]1(O)OC(=O)C2=C1CCC=C2
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
Ligusticum chuanxiong
1 reference
stated in
Two phthalides from Ligusticum chuangxiong
Conioselinum anthriscoides
1 reference
stated in
Two phthalides from Ligusticum chuangxiong
Ligusticum striatum
1 reference
stated in
Two phthalides from Ligusticum chuangxiong
Oreocome striata
1 reference
stated in
Studies on the constituents of umbelliferae plantx. XVII. Structures of three new ligustilide derivatives from Ligusticum wallichii.
Apiaceae
2 references
stated in
Components of Cnidium officinale Makino: occurrence of pregnenolone, coniferyl ferulate, and hydroxyphthalides
stated in
Studies on the constituents of umbelliferae plants. XV Constituents of Cnidium officinale : Occurrence of pregnenolone, coniferylferulate and hydroxyphthalides.
Identifiers
InChI
InChI=1S/C12H16O3/c1-2-3-8-12(14)10-7-5-4-6-9(10)11(13)15-12/h4,6,14H,2-3,5,7-8H2,1H3/t12-/m0/s1
0 references
InChIKey
JGIFAEPLZJPSHA-LBPRGKRZSA-N
0 references
PubChem CID
5321250
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JGIFAEPLZJPSHA-LBPRGKRZSA-N
UniChem compound ID
32767353
1 reference
stated in
UniChem
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