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(Q105187435)
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English
7-{[(2E)-4-[4-(hydroxymethyl)-5-oxo-2H-furan-2-yl]-3-methylbut-2-en-1-yl]oxy}chromen-2-one
group of stereoisomers with the chemical formula C₁₉H₁₈O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
2,6-dimethyloctane monoterpenoid
1 reference
inferred from
2,6-dimethyloctane monoterpenoid
biogenic coumarin
1 reference
inferred from
biogenic coumarin
mass
342.110338296
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₁₈O₆
0 references
canonical SMILES
O=C1OC=2C=C(OCC=C(C)CC3OC(=O)C(=C3)CO)C=CC2C=C1
0 references
isomeric SMILES
C/C(=C\COc1ccc2ccc(=O)oc2c1)CC1C=C(CO)C(=O)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H18O6/c1-12(8-16-9-14(11-20)19(22)24-16)6-7-23-15-4-2-13-3-5-18(21)25-17(13)10-15/h2-6,9-10,16,20H,7-8,11H2,1H3/b12-6+
0 references
InChIKey
NYBMIJVQEQCOLI-WUXMJOGZSA-N
0 references
PubChem CID
10497472
1 reference
matched by identifier from
InChIKey
InChIKey
NYBMIJVQEQCOLI-WUXMJOGZSA-N
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