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(Q104988212)
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English
2-Galloyl-1,4-galactarolactone methyl ester
group of stereoisomers with the chemical formula C₁₄H₁₄O₁₁
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
358.0536112679999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₄O₁₁
0 references
canonical SMILES
O=C(OC1C(=O)OC(C(O)C(=O)OC)C1O)C2=CC(O)=C(O)C(O)=C2
0 references
Identifiers
InChI
InChI=1S/C14H14O11/c1-23-13(21)9(19)10-8(18)11(14(22)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3
0 references
InChIKey
DTDWLEXEERIYFQ-UHFFFAOYSA-N
0 references
PubChem CID
85207469
1 reference
based on heuristic
inferred from InChIKey
ChEBI ID
174789
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H14O11/c1-23-13(21)9(19)10-8(18)11(14(22)24-10)25-12(20)4-2-5(15)7(17)6(16)3-4/h2-3,8-11,15-19H,1H3
UniChem compound ID
32007506
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0037200
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DTDWLEXEERIYFQ-UHFFFAOYSA-N
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