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2-(beta-D-glucopyranosyloxy)benzoate(1-)
chemical compound
2-(β-D-glucopyranosyloxy)benzoate(1-)
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Statements
instance of
type of chemical entity
0 references
subclass of
anion
0 references
part of
salicylic acid glucosyltransferase (glucoside-forming) activity
1 reference
stated in
Gene Ontology release 2020-05-02
Rhea release 113
mass
299.07724101991
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₁₅O₈⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C([O-])c1ccccc1OC1OC(CO)C(O)C(O)C1O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1=CC=C(C(=C1)C(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
0 references
Identifiers
InChI
InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/p-1/t8-,9-,10+,11-,13-/m1/s1
0 references
InChIKey
TZPBMNKOLMSJPF-BZNQNGANSA-M
1 reference
stated in
ChEBI release 2020-09-01
PubChem CID
7099939
0 references
ChEBI ID
145670
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-4-2-1-3-6(7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/p-1/t8-,9-,10+,11-,13-/m1/s1
UniChem compound ID
1216541
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0302794
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TZPBMNKOLMSJPF-BZNQNGANSA-M
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