(Q104982059)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4,6-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

656.137734816 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₂₈O₁₆

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canonical SMILES

O=C(OC1OC(CO)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C=CC3=CC=C(O)C(O)=C3)C1O)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]1O[C@H](CO)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[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/C31H28O16/c32-13-23-28(47-30(43)16-11-21(37)26(41)22(38)12-16)29(45-24(39)7-3-14-1-5-17(33)19(35)9-14)27(42)31(44-23)46-25(40)8-4-15-2-6-18(34)20(36)10-15/h1-12,23,27-29,31-38,41-42H,13H2/b7-3+,8-4+/t23-,27-,28-,29-,31+/m1/s1

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InChIKey

DJEHBAATIXBFIY-IYGVFCMSSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

DJEHBAATIXBFIY-IYGVFCMSSA-N

1 reference

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