(Q105117265)

English

4-O,6-O-(4,4',5,5',6,6'-Hexahydroxybiphenyl-2,2'-diyldicarbonyl)-beta-D-glucopyranose 1,3-bis(3,4-dihydroxy-trans-cinnamate)

chemical compound

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instance of

type of chemical entity

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subclass of

[13-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-3,4,5,12,21,22,23-heptahydroxy-8,18-dioxo-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-11-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

806.13304336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₃₀O₂₀

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canonical SMILES

O=C(OC1OC2COC(=O)C=3C=C(O)C(O)=C(O)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC2C(OC(=O)C=CC5=CC=C(O)C(O)=C5)C1O)C=CC6=CC=C(O)C(O)=C6

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O

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found in taxon

Balanophora japonica

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stated in

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

Balanophora laxiflora

1 reference

stated in

Phenolic constituents from Balanophora laxiflora with DPPH radical-scavenging activity.

Identifiers

InChI

InChI=1S/C38H30O20/c39-18-5-1-14(9-20(18)41)3-7-25(45)56-35-33(51)38(57-26(46)8-4-15-2-6-19(40)21(42)10-15)55-24-13-54-36(52)16-11-22(43)29(47)31(49)27(16)28-17(37(53)58-34(24)35)12-23(44)30(48)32(28)50/h1-12,24,33-35,38-44,47-51H,13H2/b7-3+,8-4+/t24-,33-,34-,35-,38+/m1/s1

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InChIKey

IPIURKJONRJLDF-NJDMKFFYSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105117265)

4-O,6-O-(4,4',5,5',6,6'-Hexahydroxybiphenyl-2,2'-diyldicarbonyl)-beta-D-glucopyranose 1,3-bis(3,4-dihydroxy-trans-cinnamate)

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