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(Q104913809)
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English
3-O-Galloyl-1,4-galactarolactone
group of stereoisomers with the chemical formula C₁₃H₁₂O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
344.0379612039999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₃H₁₂O₁₁
0 references
canonical SMILES
O=C(O)C(O)C1OC(=O)C(O)C1OC(=O)C2=CC(O)=C(O)C(O)=C2
0 references
Identifiers
InChI
InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)23-10-8(18)13(22)24-9(10)7(17)11(19)20/h1-2,7-10,14-18H,(H,19,20)
0 references
InChIKey
AKRXKEBXBSHTKE-UHFFFAOYSA-N
0 references
PubChem CID
85160549
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AKRXKEBXBSHTKE-UHFFFAOYSA-N
ChEBI ID
193885
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C13H12O11/c14-4-1-3(2-5(15)6(4)16)12(21)23-10-8(18)13(22)24-9(10)7(17)11(19)20/h1-2,7-10,14-18H,(H,19,20)
UniChem compound ID
32012377
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0037201
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AKRXKEBXBSHTKE-UHFFFAOYSA-N
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