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(Q115947261)
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English
PUKISDAJSBHRRO-UHFFFAOYSA-N
group of stereoisomers with the chemical formula C₂₁H₂₀O₁₂
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
464.09547608
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀O₁₂
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canonical SMILES
O=C1C=C(OC=2C=C(O)C=C(O)C12)C=3C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C(O)C3
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found in taxon
Punica granatum
1 reference
stated in
A comprehensive study of pomegranate flowers polyphenols and metabolites in rat biological samples by high-performance liquid chromatography quadrupole time-of-flight mass spectrometry
Identifiers
InChI
InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(32-15)33-20-11(26)1-7(2-12(20)27)13-5-10(25)16-9(24)3-8(23)4-14(16)31-13/h1-5,15,17-19,21-24,26-30H,6H2
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InChIKey
PUKISDAJSBHRRO-UHFFFAOYSA-N
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