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(Q104389160)
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English
(3Z)-3-(2-hydroxybutylidene)-2-benzofuran-1-one
group of stereoisomers with the chemical formula C₁₂H₁₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic isobenzofuran
1 reference
inferred from
biogenic isobenzofuran
mass
204.078644244
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₂O₃
0 references
canonical SMILES
O=C1OC(=CC(O)CC)C=2C=CC=CC12
0 references
isomeric SMILES
CCC(O)/C=C1\OC(=O)c2ccccc21
1 reference
based on heuristic
inferred from InChI
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
Levisticum officinale
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.
Oreocome striata
1 reference
stated in
Studies on the constituents of umbelliferae plantx. XVII. Structures of three new ligustilide derivatives from Ligusticum wallichii.
Identifiers
InChI
InChI=1S/C12H12O3/c1-2-8(13)7-11-9-5-3-4-6-10(9)12(14)15-11/h3-8,13H,2H2,1H3/b11-7-
0 references
InChIKey
RAGLCXMIVOLFJJ-XFFZJAGNSA-N
0 references
PubChem CID
11830530
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RAGLCXMIVOLFJJ-XFFZJAGNSA-N
UniChem compound ID
32046563
1 reference
stated in
UniChem
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