(Q105339989)

English

[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyl)oxy-6-(3,4,5-trimethoxyphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[3-Hydroxy-2-(hydroxymethyl)-5-(3,4,5-trihydroxybenzoyl)oxy-6-(3,4,5-trimethoxyphenoxy)oxan-4-yl] 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

650.1482995 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₀O₁₇

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canonical SMILES

O=C(OC1C(O)C(OC(OC=2C=C(OC)C(OC)=C(OC)C2)C1OC(=O)C3=CC(O)=C(O)C(O)=C3)CO)C4=CC(O)=C(O)C(O)=C4

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isomeric SMILES

COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(OC)c1OC

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Caryocar glabrum

1 reference

Phenolic glycosides from the stem bark of Caryocar villosum and C. glabrum

Identifiers

InChI=1S/C29H30O17/c1-40-18-8-13(9-19(41-2)24(18)42-3)43-29-26(46-28(39)12-6-16(33)22(36)17(34)7-12)25(23(37)20(10-30)44-29)45-27(38)11-4-14(31)21(35)15(32)5-11/h4-9,20,23,25-26,29-37H,10H2,1-3H3/t20-,23-,25+,26-,29-/m1/s1

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XQRHZDSICBATET-DTZBCZQKSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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