(Q105234629)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

[6-[2-[5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

740.195249692 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Isovitexin 2''-(6'''-(E)-p-coumaroylglucoside)

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₃₆O₁₇

0 references

canonical SMILES

O=C(OCC1OC(OC2C(O)C(O)C(OC2C3=C(O)C=C4OC(=CC(=O)C4=C3O)C=5C=CC(O)=CC5)CO)C(O)C(O)C1O)C=CC6=CC=C(O)C=C6

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O[C@@H]2[C@H](c3c(O)cc4oc(-c5ccc(O)cc5)cc(=O)c4c3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

0 references

found in taxon

Cucumis sativus

1 reference

stated in

Acylated flavone C-glycosides from Cucumis sativus

Identifiers

InChI

InChI=1S/C36H36O17/c37-13-23-28(43)32(47)35(53-36-33(48)31(46)29(44)24(52-36)14-49-25(42)10-3-15-1-6-17(38)7-2-15)34(51-23)27-20(41)12-22-26(30(27)45)19(40)11-21(50-22)16-4-8-18(39)9-5-16/h1-12,23-24,28-29,31-39,41,43-48H,13-14H2/b10-3+/t23-,24-,28-,29-,31+,32+,33-,34+,35+,36+/m1/s1

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InChIKey

RECLDAGWBWVMCW-YQJALWIDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RECLDAGWBWVMCW-YQJALWIDSA-N

(Q105234629)

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

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Identifiers

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