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(Q105148562)
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English
7-[(E)-3-methyl-4-[(2R,4S)-4-methyl-5-oxooxolan-2-yl]but-2-enoxy]chromen-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Clauslactone M
1 reference
based on heuristic
inferred from SMILES
7-{[3-methyl-4-(4-methyl-5-oxooxolan-2-yl)but-2-en-1-yl]oxy}chromen-2-one
1 reference
based on heuristic
inferred from SMILES
mass
328.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
7-[(E)-3-methyl-4-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]but-2-enoxy]chromen-2-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
3'',4''-Dihydrocapnolactone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₀O₅
0 references
canonical SMILES
O=C1OC=2C=C(OCC=C(C)CC3OC(=O)C(C)C3)C=CC2C=C1
0 references
isomeric SMILES
C/C(=C\COc1ccc2ccc(=O)oc2c1)C[C@H]1C[C@H](C)C(=O)O1
0 references
found in taxon
Clausena excavata
1 reference
stated in
Constituents from Clausena excavata
Identifiers
InChI
InChI=1S/C19H20O5/c1-12(9-16-10-13(2)19(21)23-16)7-8-22-15-5-3-14-4-6-18(20)24-17(14)11-15/h3-7,11,13,16H,8-10H2,1-2H3/b12-7+/t13-,16-/m0/s1
0 references
InChIKey
LABSWNJPBIVCBD-TWSPDMLNSA-N
0 references
PubChem CID
163002133
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LABSWNJPBIVCBD-TWSPDMLNSA-N
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