(Q105268809)

English

[(2R,3S,4R,5S,6S)-3-acetyloxy-6-[(2S,3R,4R,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

flavone

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mass

724.185078932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₆O₁₉

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canonical SMILES

O=C(OCC1OC(OC2C(O)C(OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=C(OC)C5)OC(CO)C2O)C(O)C(O)C1OC(=O)C)C

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isomeric SMILES

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@@H]3O)[C@H]2O)ccc1O

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found in taxon

Achlys triphylla

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stated in

Four flavonol glycosides from Achlys triphylla

Identifiers

InChI

InChI=1S/C32H36O19/c1-11(34)45-10-20-28(46-12(2)35)24(41)25(42)31(49-20)50-29-22(39)19(9-33)48-32(26(29)43)51-30-23(40)21-16(38)7-14(36)8-18(21)47-27(30)13-4-5-15(37)17(6-13)44-3/h4-8,19-20,22,24-26,28-29,31-33,36-39,41-43H,9-10H2,1-3H3/t19-,20-,22+,24-,25+,26-,28-,29-,31+,32+/m1/s1

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InChIKey

UAIFJJZKHMRAFH-DWZMDGIQSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105268809)

[(2R,3S,4R,5S,6S)-3-acetyloxy-6-[(2S,3R,4R,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl acetate

Statements

Identifiers

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