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(Q105142027)
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English
2-O-Galloylgalactaric acid
group of stereoisomers with the chemical formula C₁₃H₁₄O₁₂
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
362.04852588799986
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₄O₁₂
0 references
canonical SMILES
O=C(O)C(O)C(O)C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(=O)O
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Identifiers
InChI
InChI=1S/C13H14O12/c14-4-1-3(2-5(15)6(4)16)13(24)25-10(12(22)23)8(18)7(17)9(19)11(20)21/h1-2,7-10,14-19H,(H,20,21)(H,22,23)
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InChIKey
KJWXZHRHCSMFSY-UHFFFAOYSA-N
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PubChem CID
75060826
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KJWXZHRHCSMFSY-UHFFFAOYSA-N
UniChem compound ID
32010462
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0036932
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KJWXZHRHCSMFSY-UHFFFAOYSA-N
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