(Q105276037)

English

(3R)-3-hydroxy-5-oxo-5-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]pentanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-Hydroxy-5-oxo-5-[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]-3-[[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]pentanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

728.21637906 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₁₉

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canonical SMILES

O=C(O)CC(O)(C(=O)OCC1=CC=C(OC2OC(CO)C(O)C(O)C2O)C=C1)CC(=O)OCC3=CC=C(OC4OC(CO)C(O)C(O)C4O)C=C3

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isomeric SMILES

O=C(O)C[C@@](O)(CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

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found in taxon

Gastrodia elata

1 reference

stated in

Parishins B and C from rhizomes of Gastrodia elata

Identifiers

InChI

InChI=1S/C32H40O19/c33-11-19-23(38)25(40)27(42)29(50-19)48-17-5-1-15(2-6-17)13-46-22(37)10-32(45,9-21(35)36)31(44)47-14-16-3-7-18(8-4-16)49-30-28(43)26(41)24(39)20(12-34)51-30/h1-8,19-20,23-30,33-34,38-43,45H,9-14H2,(H,35,36)/t19-,20-,23-,24-,25+,26+,27-,28-,29-,30-,32-/m1/s1

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InChIKey

UNLDMOJTKKEMOG-XEZGTSDZSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105276037)

(3R)-3-hydroxy-5-oxo-5-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]-3-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]pentanoic acid

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