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(Q105221488)
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English
1,2,4-Trigalloyl-beta-D-glucopyranose
group of stereoisomers with the chemical formula C₂₇H₂₄O₁₈
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
636.0962639279999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₂₄O₁₈
0 references
canonical SMILES
O=C(OC1OC(CO)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)C4=CC(O)=C(O)C(O)=C4
0 references
Identifiers
InChI
InChI=1S/C27H24O18/c28-7-17-22(43-24(39)8-1-11(29)18(35)12(30)2-8)21(38)23(44-25(40)9-3-13(31)19(36)14(32)4-9)27(42-17)45-26(41)10-5-15(33)20(37)16(34)6-10/h1-6,17,21-23,27-38H,7H2
0 references
InChIKey
QIMAAFXJNKMZMG-UHFFFAOYSA-N
0 references
PubChem CID
15596071
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QIMAAFXJNKMZMG-UHFFFAOYSA-N
UniChem compound ID
32011537
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0031745
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QIMAAFXJNKMZMG-UHFFFAOYSA-N
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