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(Q105035229)
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English
3-butylidene-3a,4-dihydro-2-benzofuran-1-one
group of stereoisomers with the chemical formula C₁₂H₁₄O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
190.099379688
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄O₂
0 references
canonical SMILES
O=C1OC(=CCCC)C2C1=CC=CC2
0 references
found in taxon
Angelica gigas
1 reference
stated in
Optimized conditions for the extraction of secondary volatile metabolites in Angelica roots by accelerated solvent extraction
Identifiers
InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-5,7-9H,2-3,6H2,1H3
0 references
InChIKey
HYBKZIMAEUOFDE-UHFFFAOYSA-N
0 references
PubChem CID
91182135
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HYBKZIMAEUOFDE-UHFFFAOYSA-N
UniChem compound ID
100253535
1 reference
stated in
UniChem
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