(Q105338444)

English

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

chemical compound

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770.184685008 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

Kaempferol 3-(3-p-coumaroyl-6-feruloylglucoside)

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based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₃₄O₁₆

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canonical SMILES

O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(O)C(OC(=O)C=CC5=CC=C(O)C=C5)C1O)C=CC6=CC=C(O)C(OC)=C6

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)[C@H](O)[C@@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]2O)ccc1O

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found in taxon

Stenochlaena palustris

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stated in

Acylated flavonol glycosides from leaves of Stenochlaena palustris.

Identifiers

InChI

InChI=1S/C40H34O16/c1-51-28-16-21(4-13-26(28)44)6-14-31(46)52-19-30-34(48)38(55-32(47)15-5-20-2-9-23(41)10-3-20)36(50)40(54-30)56-39-35(49)33-27(45)17-25(43)18-29(33)53-37(39)22-7-11-24(42)12-8-22/h2-18,30,34,36,38,40-45,48,50H,19H2,1H3/b14-6+,15-5?/t30-,34-,36-,38+,40+/m1/s1

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InChIKey

XPIXCPCSKJDZLU-RDBZGAMASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XPIXCPCSKJDZLU-RDBZGAMASA-N

(Q105338444)

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

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