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(Q82711721)
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English
3,4,8-Trimethoxy-2-oxo-2H-1-benzopyran-5-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
264.063388104
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₂O₆
0 references
canonical SMILES
COC1=C2C(=C(C=C1)C=O)C(=C(C(=O)O2)OC)OC
0 references
found in taxon
Perezia coerulescens
1 reference
stated in
A coumarin from Perezia coerulescens
Perezia pinnatifida
1 reference
stated in
A coumarin from Perezia coerulescens
Identifiers
InChI
InChI=1S/C13H12O6/c1-16-8-5-4-7(6-14)9-10(8)19-13(15)12(18-3)11(9)17-2/h4-6H,1-3H3
0 references
InChIKey
GKDRESMNJRQGIF-UHFFFAOYSA-N
0 references
CAS Registry Number
93078-79-6
0 references
PubChem CID
71329598
1 reference
matched by identifier from
InChIKey
InChIKey
GKDRESMNJRQGIF-UHFFFAOYSA-N
UniChem compound ID
63960344
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50758403
1 reference
matched by identifier from
InChIKey
InChIKey
GKDRESMNJRQGIF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40709146
0 references
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