(Q105136694)

English

[(3R,4S,5S)-5-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl (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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594.137340892 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₂₆O₁₃

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canonical SMILES

O=C(OCC1(O)COC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C1O)C=CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

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

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found in taxon

Pteridium aquilinum

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stated in

Kaempferol 3-O-(5″-feruloylapioside) from Pteridium aquilinum

Identifiers

InChI

InChI=1S/C30H26O13/c1-39-21-10-15(2-8-19(21)33)3-9-23(35)40-13-30(38)14-41-29(28(30)37)43-27-25(36)24-20(34)11-18(32)12-22(24)42-26(27)16-4-6-17(31)7-5-16/h2-12,28-29,31-34,37-38H,13-14H2,1H3/b9-3+/t28-,29+,30+/m1/s1

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InChIKey

JXONCIVNSCDGQY-ITXVTCIGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JXONCIVNSCDGQY-ITXVTCIGSA-N

(Q105136694)

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

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Identifiers

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