(Q105202465)

English

ehletianol B (stereoasp.)

group of stereoisomers with the chemical formula C₃₅H₄₀O₁₉

{3,4,5-trihydroxy-6-[3-methoxy-4-({3,4,5-trihydroxy-6-[(4-hydroxy-3-methoxybenzoyloxy)methyl]oxan-2-yl}oxy)phenoxy]oxan-2-yl}methyl 4-hydroxy-3-methoxybenzoate

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Statements

group of stereoisomers

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chemical compound

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764.6821 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₀O₁₉

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canonical SMILES

O=C(OCC1OC(OC2=CC=C(OC3OC(COC(=O)C4=CC=C(O)C(OC)=C4)C(O)C(O)C3O)C(OC)=C2)C(O)C(O)C1O)C5=CC=C(O)C(OC)=C5

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Identifiers

InChI=1S/C35H40O19/c1-46-21-10-15(4-7-18(21)36)32(44)49-13-24-26(38)28(40)30(42)34(53-24)51-17-6-9-20(23(12-17)48-3)52-35-31(43)29(41)27(39)25(54-35)14-50-33(45)16-5-8-19(37)22(11-16)47-2/h4-12,24-31,34-43H,13-14H2,1-3H3

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OXAZIKWPCMOVJF-UHFFFAOYSA-N

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1 reference

based on heuristic

inferred from InChIKey

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