(Q104984888)

English

[(2R,3S,4R,5S,6S)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[[6-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

772.185078932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₆O₁₉

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canonical SMILES

O=C(OC1C(O)C(O)C(OCC2OC(OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=C(O)C5)C(O)C(O)C2O)OC1C)C=CC6=CC=C(O)C(O)=C6

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isomeric SMILES

C[C@H]1O[C@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1OC(=O)/C=C/c1ccc(O)c(O)c1

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found in taxon

candyleaf

1 reference

stated in

A new acylated quercetin glycoside from the leaves of Stevia rebaudiana Bertoni

Identifiers

InChI

InChI=1S/C36H36O19/c1-13-32(54-24(43)7-3-14-2-5-17(38)19(40)8-14)29(47)31(49)35(51-13)50-12-23-26(44)28(46)30(48)36(53-23)55-34-27(45)25-21(42)10-16(37)11-22(25)52-33(34)15-4-6-18(39)20(41)9-15/h2-11,13,23,26,28-32,35-42,44,46-49H,12H2,1H3/b7-3+/t13-,23-,26+,28+,29-,30-,31+,32-,35+,36+/m1/s1

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InChIKey

DLYWVZSZZMLYSR-FFADRSHCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104984888)

[(2R,3S,4R,5S,6S)-6-[[(2R,3R,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Statements

Identifiers

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