(Q105249701)

English

galloyl(-2)[galloyl(-4)][coumaroyl(3-OH)(-6)]Glc(b)-O-galloyl

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[2-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-4-hydroxy-5,6-bis[(3,4,5-trihydroxybenzoyl)oxy]oxan-3-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

798.12795798 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₀O₂₁

0 references

canonical SMILES

O=C(OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C1OC(=O)C4=CC(O)=C(O)C(O)=C4)C=CC5=CC=C(O)C(O)=C5

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isomeric SMILES

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

0 references

found in taxon

Balanophora japonica

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C36H30O21/c37-17-3-1-13(5-18(17)38)2-4-26(45)53-12-25-31(55-33(50)14-6-19(39)27(46)20(40)7-14)30(49)32(56-34(51)15-8-21(41)28(47)22(42)9-15)36(54-25)57-35(52)16-10-23(43)29(48)24(44)11-16/h1-11,25,30-32,36-44,46-49H,12H2/b4-2+/t25-,30+,31-,32-,36+/m1/s1

0 references

InChIKey

SBTAYAUXAIWEDA-XGKDMQNCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105249701)

galloyl(-2)[galloyl(-4)][coumaroyl(3-OH)(-6)]Glc(b)-O-galloyl

Statements

Identifiers

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