(Q105330022)

English

beta-D-Glucopyranose 1,2,6-tris(3,4-dihydroxy-trans-cinnamate)

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[5,6-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-3,4-dihydroxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

666.15847026 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₀O₁₅

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canonical SMILES

O=C(OCC1OC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C(O)C1O)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O

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found in taxon

Balanophora japonica

1 reference

stated in

Caffeoyl, coumaroyl, galloyl, and hexahydroxydiphenoyl glucoses from Balanophora japonica.

Identifiers

InChI

InChI=1S/C33H30O15/c34-20-7-1-17(13-23(20)37)4-10-27(40)45-16-26-30(43)31(44)32(47-28(41)11-5-18-2-8-21(35)24(38)14-18)33(46-26)48-29(42)12-6-19-3-9-22(36)25(39)15-19/h1-15,26,30-39,43-44H,16H2/b10-4+,11-5+,12-6+/t26-,30-,31+,32-,33+/m1/s1

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InChIKey

XLJXWPYQMKKBOH-HUJZILSFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XLJXWPYQMKKBOH-HUJZILSFSA-N

1 reference

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