(Q105227539)

English

(2S,3S,4R,5R,6S)-2-{[(2S,3R,4R,5S,6R)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-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-[[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-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

786.200728996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-[[6-O-[2-O-(4-Hydroxy-3-methoxy-trans-cinnamoyl)-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-4',5,7-trihydroxyflavone

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₇H₃₈O₁₉

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1OCC2OC(OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=CC5)C(O)C(O)C2O)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](OC[C@@H]3O[C@H](Oc4c(-c5ccc(O)cc5)oc5cc(O)cc(O)c5c4=O)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](CO)[C@H](O)[C@H]2O)ccc1O

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found in taxon

Allium obliquum

1 reference

stated in

The flavonoids of leek, Allium porrum.

Allium porrum

1 reference

stated in

The flavonoids of leek, Allium porrum.

Allium ampeloprasum

1 reference

stated in

The flavonoids of leek, Allium porrum.

Identifiers

InChI

InChI=1S/C37H38O19/c1-50-21-10-15(2-8-19(21)41)3-9-25(43)55-35-31(48)27(44)23(13-38)53-37(35)51-14-24-28(45)30(47)32(49)36(54-24)56-34-29(46)26-20(42)11-18(40)12-22(26)52-33(34)16-4-6-17(39)7-5-16/h2-12,23-24,27-28,30-32,35-42,44-45,47-49H,13-14H2,1H3/b9-3+/t23-,24-,27-,28-,30+,31+,32-,35-,36+,37-/m0/s1

(Q105227539)

(2S,3S,4R,5R,6S)-2-{[(2S,3R,4R,5S,6R)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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