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(Q105180455)
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English
7-((2E)-3,7-Dimethylocta-2,6-dienoxy)-8-(3-methylbut-2-enyl)chromen-2-one
chemical compound
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No label defined
No description defined
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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
366.21949482
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₃₀O₃
0 references
canonical SMILES
O=C1OC2=C(C=C1)C=CC(OCC=C(C)CCC=C(C)C)=C2CC=C(C)C
0 references
isomeric SMILES
CC(C)=CCC/C(C)=C/COc1ccc2ccc(=O)oc2c1CC=C(C)C
1 reference
based on heuristic
inferred from InChI
found in taxon
Casimiroa greggii
1 reference
stated in
Plant antitumor agents, 21. Flavones, coumarins, and an alkaloid from Sargentia greggii.
Boronia koniambiensis
1 reference
stated in
Koniamborine, the first pyrano[3,2-b]indole alkaloid and other secondary metabolites from Boronella koniambiensis
Identifiers
InChI
InChI=1S/C24H30O3/c1-17(2)7-6-8-19(5)15-16-26-22-13-10-20-11-14-23(25)27-24(20)21(22)12-9-18(3)4/h7,9-11,13-15H,6,8,12,16H2,1-5H3/b19-15+
0 references
InChIKey
NKCISAZZXKYCSK-XDJHFCHBSA-N
0 references
PubChem CID
6442525
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NKCISAZZXKYCSK-XDJHFCHBSA-N
UniChem compound ID
465309
1 reference
stated in
UniChem
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