(Q105160740)

English

[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-(3,4,5-trihydroxyoxan-2-yl)chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

740.195249692 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₃₆O₁₇

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1C2=C(O)C(=C(O)C=3C(=O)C=C(OC32)C=4C=CC(O)=CC4)C5OCC(O)C(O)C5O)CO)C=CC6=CC=C(O)C(OC)=C6

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isomeric SMILES

COc1cc(/C=C/C(=O)O[C@H]2[C@H](c3c(O)c([C@H]4OC[C@H](O)[C@H](O)[C@H]4O)c(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O

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found in taxon

Metzgeria conjugata

1 reference

stated in

Flavone C-glycosides of two Metzgeria species

Identifiers

InChI

InChI=1S/C36H36O17/c1-49-21-10-14(2-8-17(21)39)3-9-23(42)53-36-32(48)28(44)22(12-37)52-35(36)26-30(46)25(34-31(47)27(43)19(41)13-50-34)29(45)24-18(40)11-20(51-33(24)26)15-4-6-16(38)7-5-15/h2-11,19,22,27-28,31-32,34-39,41,43-48H,12-13H2,1H3/b9-3+/t19-,22+,27-,28+,31+,32-,34+,35-,36+/m0/s1

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InChIKey

MBGNCPLGMURTMM-AFKUYSMFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105160740)

[(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-6-[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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