(Q105264741)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4-(acetyloxy)-6-{[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy}-3,5-dihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

636.147905576 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₂₈O₁₄

0 references

canonical SMILES

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

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](O)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H]1O

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found in taxon

Quercus cerris

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C32H28O14/c1-15(33)43-30-26(39)23(14-42-24(38)11-4-16-2-7-18(34)8-3-16)45-32(28(30)41)46-31-27(40)25-21(37)12-20(36)13-22(25)44-29(31)17-5-9-19(35)10-6-17/h2-13,23,26,28,30,32,34-37,39,41H,14H2,1H3/b11-4+/t23-,26-,28-,30+,32+/m1/s1

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InChIKey

TUFROJTWZVLLLD-LFEHGPDLSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

TUFROJTWZVLLLD-LFEHGPDLSA-N

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

TUFROJTWZVLLLD-LFEHGPDLSA-N

(Q105264741)

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

Statements

Identifiers

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