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(Q105124396)
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English
6,7-dimethoxy-5-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
274.120509056
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈O₄
0 references
canonical SMILES
O=C1OC2=CC(OC)=C(OC)C(=C2C=C1)CC=C(C)C
0 references
found in taxon
Cedrelopsis grevei
2 references
stated in
Coumarins from Cedrelopsis grevei (Ptaeroxylaceae).
stated in
New coumarins from Cedrelopsis grevei
Identifiers
InChI
InChI=1S/C16H18O4/c1-10(2)5-6-12-11-7-8-15(17)20-13(11)9-14(18-3)16(12)19-4/h5,7-9H,6H2,1-4H3
0 references
InChIKey
JBKFXOOPQHTINJ-UHFFFAOYSA-N
0 references
PubChem CID
642899
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JBKFXOOPQHTINJ-UHFFFAOYSA-N
UniChem compound ID
33386107
1 reference
stated in
UniChem
NMRShiftDB structure ID
20028227
1 reference
matched by identifier from
InChIKey
InChIKey
JBKFXOOPQHTINJ-UHFFFAOYSA-N
KNApSAcK ID
C00036085
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JBKFXOOPQHTINJ-UHFFFAOYSA-N
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