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(Q105157593)
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English
[(5S,6S)-3,6-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-5-yl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,6-dimethyl-4-oxo-6,7-dihydro-5H-1-benzofuran-5-yl acetate
1 reference
based on heuristic
inferred from SMILES
mass
222.089208928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₄O₄
0 references
canonical SMILES
O=C(OC1C(=O)C2=C(OC=C2C)CC1C)C
0 references
isomeric SMILES
CC(=O)O[C@@H]1C(=O)c2c(C)coc2C[C@@H]1C
0 references
found in taxon
Clinopodium ashei
2 references
stated in
Menthofurans from Calamintha ashei and the absolute configuration of desacetylcalaminthone
stated in
Menthofurans from Calamintha ashei: Effects on Schizachyrium scoparium and Lactuca sativa
Identifiers
InChI
InChI=1S/C12H14O4/c1-6-4-9-10(7(2)5-15-9)11(14)12(6)16-8(3)13/h5-6,12H,4H2,1-3H3/t6-,12-/m0/s1
0 references
InChIKey
LUROOFSVNUUOCG-QTTZVWFDSA-N
0 references
PubChem CID
14163447
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LUROOFSVNUUOCG-QTTZVWFDSA-N
UniChem compound ID
52188802
1 reference
stated in
UniChem
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