(Q105265391)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

[6-[5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-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

624.147905576 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₁H₂₈O₁₄

0 references

canonical SMILES

O=C(OCC1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(OC)C4)C(O)C(O)C1O)C=CC5=CC=C(O)C=C5

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isomeric SMILES

COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@@H](O)[C@@H]2O)ccc1O

0 references

found in taxon

Quercus cerris

1 reference

stated in

Constituents of cupuliferae, XII. Minor acylated flavonoids fromQuercus cerris L

Identifiers

InChI

InChI=1S/C31H28O14/c1-41-20-10-15(5-8-18(20)34)29-30(26(38)24-19(35)11-17(33)12-21(24)43-29)45-31-28(40)27(39)25(37)22(44-31)13-42-23(36)9-4-14-2-6-16(32)7-3-14/h2-12,22,25,27-28,31-35,37,39-40H,13H2,1H3/b9-4+/t22-,25-,27-,28+,31+/m1/s1

0 references

InChIKey

TVMGLJJYKIHJNJ-IMIORASZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TVMGLJJYKIHJNJ-IMIORASZSA-N

(Q105265391)

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

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