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(Q105203756)
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English
7-[[(2E,6E)-7-Formyl-3-methyl-2,6-octadienyl]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
312.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₀O₄
0 references
canonical SMILES
O=CC(=CCCC(=CCOC=1C=CC=2C=CC(=O)OC2C1)C)C
0 references
isomeric SMILES
C/C(C=O)=C\CC/C(C)=C/COc1ccc2ccc(=O)oc2c1
1 reference
based on heuristic
inferred from InChI
found in taxon
Krubera peregrina
1 reference
stated in
Natürlich vorkommende Cumarin-Derivate, VI. Über die Inhaltsstoffe vonCapnophyllum-Arten
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/C19H20O4/c1-14(4-3-5-15(2)13-20)10-11-22-17-8-6-16-7-9-19(21)23-18(16)12-17/h5-10,12-13H,3-4,11H2,1-2H3/b14-10+,15-5+
0 references
InChIKey
OZFTXBJNAKKHNE-QNCWQPSJSA-N
0 references
PubChem CID
10380799
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OZFTXBJNAKKHNE-QNCWQPSJSA-N
UniChem compound ID
32041296
1 reference
stated in
UniChem
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