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(Q105162081)
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English
7-Methoxy-8-(2-acetoxy-3-methyl-2-butenoyl)-2H-1-benzopyran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic coumarin
0 references
mass
316.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₆O₆
0 references
canonical SMILES
O=C1OC2=C(C=C1)C=CC(OC)=C2C(=O)C(OC(=O)C)=C(C)C
0 references
found in taxon
Leionema ralstonii
2 references
stated in
Coumarins and their taxonomic value in the genus Phebalium
stated in
Coumarins from Three Phebalium species
Identifiers
InChI
InChI=1S/C17H16O6/c1-9(2)16(22-10(3)18)15(20)14-12(21-4)7-5-11-6-8-13(19)23-17(11)14/h5-8H,1-4H3
0 references
InChIKey
MDZMLCBVLYJYDB-UHFFFAOYSA-N
0 references
PubChem CID
14235341
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDZMLCBVLYJYDB-UHFFFAOYSA-N
UniChem compound ID
96857401
1 reference
stated in
UniChem
KNApSAcK ID
C00019971
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDZMLCBVLYJYDB-UHFFFAOYSA-N
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