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(Q105288187)
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English
2-(3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydronaphthalene-2-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid
group of stereoisomers with the chemical formula C₃₆H₃₀O₁₆
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
718.1533848800002
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₆H₃₀O₁₆
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canonical SMILES
O=C(O)C(OC(=O)C1=CC=2C=C(O)C(O)=CC2C(C3=CC=C(O)C(O)=C3)C1C(=O)OC(C(=O)O)CC4=CC=C(O)C(O)=C4)CC5=CC=C(O)C(O)=C5
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Identifiers
InChI
InChI=1S/C36H30O16/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48)
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InChIKey
VKWZFIDWHLCPHJ-UHFFFAOYSA-N
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PubChem CID
14163330
1 reference
matched by identifier from
InChIKey
InChIKey
VKWZFIDWHLCPHJ-UHFFFAOYSA-N
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