(Q105341523)

English

beta-D-Glucopyranose 1,4-bis(3,4,5-trihydroxybenzoate)3-(3,4-dihydroxy-trans-cinnamate)

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-5-hydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

646.116999372 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₂₆O₁₇

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canonical SMILES

O=C(OC1C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC(CO)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@@H](O)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)O[C@H](CO)[C@H]1OC(=O)c1cc(O)c(O)c(O)c1

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found in taxon

Balanophora japonica

2 references

stated in

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

stated in

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

Identifiers

InChI

InChI=1S/C29H26O17/c30-10-20-25(45-27(41)12-6-16(33)22(38)17(34)7-12)26(44-21(37)4-2-11-1-3-14(31)15(32)5-11)24(40)29(43-20)46-28(42)13-8-18(35)23(39)19(36)9-13/h1-9,20,24-26,29-36,38-40H,10H2/b4-2+/t20-,24-,25-,26-,29+/m1/s1

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InChIKey

XTFLDMSXWVBSOB-ZNJSTKJGSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105341523)

beta-D-Glucopyranose 1,4-bis(3,4,5-trihydroxybenzoate)3-(3,4-dihydroxy-trans-cinnamate)

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Identifiers

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