(Q104987357)

English

(2R)-2-[(2S,3S,4S)-4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyl)oxyoxolan-2-yl]-2-(3,4,5-trihydroxybenzoyl)oxyacetic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3,5-Di-O-galloyl-1,4-galactarolactone

1 reference

based on heuristic

inferred from SMILES

mass

496.048919812 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₆O₁₅

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canonical SMILES

O=C(O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C2OC(=O)C(O)C2OC(=O)C3=CC(O)=C(O)C(O)=C3

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isomeric SMILES

O=C(O[C@H]1[C@H](O)C(=O)O[C@@H]1[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)O)c1cc(O)c(O)c(O)c1

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found in taxon

Phyllanthus emblica

1 reference

stated in

New phenolic constituents from the fruit juice of Phyllanthus emblica

Identifiers

InChI

InChI=1S/C20H16O15/c21-7-1-5(2-8(22)11(7)25)18(30)33-14-13(27)20(32)34-15(14)16(17(28)29)35-19(31)6-3-9(23)12(26)10(24)4-6/h1-4,13-16,21-27H,(H,28,29)/t13-,14-,15-,16+/m0/s1

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InChIKey

DRESSPOLWVWPPB-YHUYYLMFSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DRESSPOLWVWPPB-YHUYYLMFSA-N

(Q104987357)

(2R)-2-[(2S,3S,4S)-4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyl)oxyoxolan-2-yl]-2-(3,4,5-trihydroxybenzoyl)oxyacetic acid

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