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(Q105268304)
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English
2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzoic acid
group of stereoisomers with the chemical formula C₁₃H₁₆O₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
300.08451747199996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₆O₈
0 references
canonical SMILES
O=C(O)C=1C=CC=CC1OC2OC(CO)C(O)C(O)C2O
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)
0 references
InChIKey
TZPBMNKOLMSJPF-UHFFFAOYSA-N
0 references
PubChem CID
4596190
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TZPBMNKOLMSJPF-UHFFFAOYSA-N
ChEBI ID
176884
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
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)
UniChem compound ID
24806053
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309055
1 reference
InChIKey
TZPBMNKOLMSJPF-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
Human Metabolome Database ID
HMDB0041271
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TZPBMNKOLMSJPF-UHFFFAOYSA-N
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