(Q105365652)

English

[(2R,3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-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-[6-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-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-[[4-O-[2-O-(4-Hydroxy-3-methoxy-trans-cinnamoyl)-beta-D-galactopyranosyl]-beta-D-glucopyranosyl]oxy]-4',5,7-trihydroxyflavone

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₇H₃₈O₁₉

0 references

canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC2C(O)C(O)C(OC=3C(=O)C=4C(O)=CC(O)=CC4OC3C=5C=CC(O)=CC5)OC2CO)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](O)[C@@H](O)[C@@H](CO)O[C@@H]2O[C@H]2[C@H](CO)O[C@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[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)42)3-9-25(44)54-35-29(47)27(45)23(13-38)52-37(35)55-33-24(14-39)53-36(31(49)30(33)48)56-34-28(46)26-20(43)11-18(41)12-22(26)51-32(34)16-4-6-17(40)7-5-16/h2-12,23-24,27,29-31,33,35-43,45,47-49H,13-14H2,1H3/b9-3+/t23-,24+,27+,29+,30+,31-,33+,35-,36-,37-/m1/s1

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InChIKey

YVMXOWMAJXNETB-SSXQDLLOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YVMXOWMAJXNETB-SSXQDLLOSA-N

(Q105365652)

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

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