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(Q105260769)
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English
1,4,6-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
636.096263928
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₂₄O₁₈
0 references
canonical SMILES
O=C(OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)C4=CC(O)=C(O)C(O)=C4
0 references
found in taxon
Alnus hirsuta
1 reference
stated in
Hirsunin, an ellagitannin with a diarylheptanoid moiety, from Alnus hirsuta var. Microphylla
Identifiers
InChI
InChI=1S/C27H24O18/c28-11-1-8(2-12(29)18(11)34)24(39)42-7-17-23(44-25(40)9-3-13(30)19(35)14(31)4-9)21(37)22(38)27(43-17)45-26(41)10-5-15(32)20(36)16(33)6-10/h1-6,17,21-23,27-38H,7H2
0 references
InChIKey
SUAXOYITDJNGFM-UHFFFAOYSA-N
0 references
PubChem CID
14284610
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
32020917
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0039185
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SUAXOYITDJNGFM-UHFFFAOYSA-N
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