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(Q76617045)
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2-(beta-D-glucopyranosyloxy)-5-hydroxybenzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
1 reference
based on heuristic
inferred from SMILES
5-hydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
1 reference
based on heuristic
inferred from SMILES
mass
316.079432092
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆O₉
0 references
canonical SMILES
O=C(O)C1=CC(O)=CC=C1OC2OC(CO)C(O)C(O)C2O
0 references
isomeric SMILES
C1=CC(=C(C=C1O)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
0 references
found in taxon
Cotoneaster orbicularis
1 reference
stated in
Unusual phenolic glycosides from Cotoneaster orbicularis
Identifiers
InChI
InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-2-1-5(15)3-6(7)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1
0 references
InChIKey
GEZJVEGHJRPQEX-BZNQNGANSA-N
0 references
CAS Registry Number
98102-34-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
49859721
0 references
ChEBI ID
136922
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-7-2-1-5(15)3-6(7)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1
UniChem compound ID
25962500
1 reference
stated in
UniChem
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