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(Q76415088)
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4-Glucogallic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
1 reference
based on heuristic
inferred from SMILES
mass
332.074346712
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
4-(alpha-D-Glucopyranosyl)oxy-3,5-dihydroxybenzoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₆O₁₀
0 references
canonical SMILES
O=C(O)C1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=C1
0 references
isomeric SMILES
C1=C(C=C(C(=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)C(=O)O
0 references
found in taxon
strawberries
1 reference
stated in
Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits
Ribes nigrum
1 reference
stated in
Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits
Ribes rubrum
1 reference
stated in
Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits
Ribes uva-crispa
1 reference
stated in
Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits
Rubus
1 reference
stated in
Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits
Vaccinium corymbosum
1 reference
stated in
Hydroxybenzoic and hydroxycinnamic acid derivatives in soft fruits
Arbutus unedo
1 reference
stated in
Phenolics of Arbutus unedo L. (Ericaceae) fruits: identification of anthocyanins and gallic acid derivatives.
Identifiers
InChI
InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1
0 references
InChIKey
YPSNWSNUXIIKHO-YANYRWCTSA-N
0 references
CAS Registry Number
84274-52-2
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10088114
1 reference
matched by identifier from
InChIKey
InChIKey
YPSNWSNUXIIKHO-YANYRWCTSA-N
ChEBI ID
192296
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1
UniChem compound ID
28971844
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801225437
1 reference
matched by identifier from
InChIKey
InChIKey
YPSNWSNUXIIKHO-YANYRWCTSA-N
Human Metabolome Database ID
HMDB0041593
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YPSNWSNUXIIKHO-YANYRWCTSA-N
KNApSAcK ID
C00063119
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
YPSNWSNUXIIKHO-YANYRWCTSA-N
UNII
S8KS7C35KN
1 reference
matched by identifier from
InChIKey
InChIKey
YPSNWSNUXIIKHO-YANYRWCTSA-N
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