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(Q105111921)
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English
7-[[(E)-3,7-Dimethyl-6-oxo-2-octenyl]oxy]-2H-1-benzopyran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2,6-dimethyloctane monoterpenoid
0 references
biogenic coumarin
0 references
mass
314.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂O₄
0 references
canonical SMILES
O=C1OC=2C=C(OCC=C(C)CCC(=O)C(C)C)C=CC2C=C1
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isomeric SMILES
C/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(=O)C(C)C
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found in taxon
Baccharis darwinii
1 reference
stated in
Diterpene glycosides and other constituents from argentinian baccharis species
Citrus hassaku
1 reference
stated in
Coumarin Constituents of the Juice Oil fromCitrus hassakuand Their Spasmolytic Activity
Citrus medica
1 reference
stated in
Coumarin Constituents of the Juice Oil fromCitrus hassakuand Their Spasmolytic Activity
Citrus medica var. sarcodactylis
1 reference
stated in
Coumarin Constituents of the Juice Oil fromCitrus hassakuand Their Spasmolytic Activity
Identifiers
InChI
InChI=1S/C19H22O4/c1-13(2)17(20)8-4-14(3)10-11-22-16-7-5-15-6-9-19(21)23-18(15)12-16/h5-7,9-10,12-13H,4,8,11H2,1-3H3/b14-10+
0 references
InChIKey
IEPVFIULOJBBHC-GXDHUFHOSA-N
0 references
PubChem CID
13965511
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
96574922
1 reference
stated in
UniChem
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