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(Q115946666)
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English
6-Hydroxy-7-methoxybenzofuran-5-propionic acid methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
250.084123548
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₄O₅
0 references
canonical SMILES
O=C(OC)CCC1=CC=2C=COC2C(OC)=C1O
0 references
found in taxon
Ruta graveolen
1 reference
stated in
In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruta graveolens
Identifiers
InChI
InChI=1S/C13H14O5/c1-16-10(14)4-3-8-7-9-5-6-18-12(9)13(17-2)11(8)15/h5-7,15H,3-4H2,1-2H3
0 references
InChIKey
BIWYFAQHSLTJEE-UHFFFAOYSA-N
0 references
PubChem CID
14704502
1 reference
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
32400715
1 reference
stated in
UniChem
KNApSAcK ID
C00059365
1 reference
based on heuristic
inferred from InChIKey
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