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(Q105220899)
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English
[2-Hydroxy-2-[3,4,5-trihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]ethyl] 3,4,5-trihydroxybenzoate
group of stereoisomers with the chemical formula C₂₁H₂₂O₁₅
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
514.0958700039996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₂O₁₅
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canonical SMILES
O=C(OCC(O)C1OC(O)(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O)C3=CC(O)=C(O)C(O)=C3
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Identifiers
InChI
InChI=1S/C21H22O15/c22-9-1-7(2-10(23)14(9)27)19(31)34-5-13(26)17-16(29)18(30)21(33,36-17)6-35-20(32)8-3-11(24)15(28)12(25)4-8/h1-4,13,16-18,22-30,33H,5-6H2
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InChIKey
QHFWAPRVWFUVQH-UHFFFAOYSA-N
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PubChem CID
162901425
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QHFWAPRVWFUVQH-UHFFFAOYSA-N
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