(Q105234226)

English

(3S)-4-[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxy-4-oxo-3-[(3S,4S)-5,6,7-trihydroxy-3-methoxycarbonyl-1-oxo-3,4-dihydroisochromen-4-yl]butanoic acid

group of stereoisomers with the chemical formula C₂₈H₂₈O₂₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

684.117393296 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₈O₂₀

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canonical SMILES

O=C(O)CC(C(=O)OC1C(O)C(O)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC1CO)C3C4=C(O)C(O)=C(O)C=C4C(=O)OC3C(=O)OC

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isomeric SMILES

COC(=O)[C@H]1OC(=O)c2cc(O)c(O)c(O)c2[C@@H]1[C@H](CC(=O)O)C(=O)OC1[C@@H](CO)O[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O

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found in taxon

Terminalia

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stated in

Polyphenolic compounds in the fruits of Egyptian medicinal plants (Terminalia bellerica, Terminalia chebula and Terminalia horrida): characterization, quantitation and determination of antioxidant capacities

Identifiers

InChI

InChI=1S/C28H28O20/c1-44-27(43)23-16(15-8(25(41)47-23)4-12(32)18(36)19(15)37)9(5-14(33)34)26(42)46-22-13(6-29)45-28(21(39)20(22)38)48-24(40)7-2-10(30)17(35)11(31)3-7/h2-4,9,13,16,20-23,28-32,35-39H,5-6H2,1H3,(H,33,34)/t9-,13+,16-,20+,21+,22?,23-,28-/m0/s1

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InChIKey

RDHOOOLYXCLSDL-NSVKKBJESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RDHOOOLYXCLSDL-NSVKKBJESA-N

(Q105234226)

(3S)-4-[(2R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(3,4,5-trihydroxybenzoyl)oxyoxan-3-yl]oxy-4-oxo-3-[(3S,4S)-5,6,7-trihydroxy-3-methoxycarbonyl-1-oxo-3,4-dihydroisochromen-4-yl]butanoic acid

Statements

Identifiers

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