(Q105327873)

English

(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3S,4S,5S,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Chrysoeriol 4',7-diglucuronide

1 reference

based on heuristic

inferred from SMILES

mass

652.127564056 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

4-[7-(beta-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₂₈O₁₈

0 references

canonical SMILES

O=C(O)C1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(OC5OC(C(=O)O)C(O)C(O)C5O)=C(OC)C4)C(O)C(O)C1O

0 references

isomeric SMILES

COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]4O)cc3o2)ccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Medicago sativa

1 reference

stated in

Alfalfa (Medicago sativa L.) flavonoids. 2. Tricin and chrysoeriol glycosides from aerial parts

Identifiers

InChI

InChI=1S/C28H28O18/c1-41-14-4-8(2-3-12(14)44-28-22(36)18(32)20(34)24(46-28)26(39)40)13-7-11(30)16-10(29)5-9(6-15(16)43-13)42-27-21(35)17(31)19(33)23(45-27)25(37)38/h2-7,17-24,27-29,31-36H,1H3,(H,37,38)(H,39,40)/t17-,18-,19-,20-,21-,22+,23+,24-,27+,28+/m0/s1

0 references

InChIKey

XGVYZZQNJZYTNO-DZERLQFFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105327873)

(2S,3S,4S,5R,6S)-6-[4-[7-[(2S,3S,4S,5S,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-4-oxochromen-2-yl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Statements

Identifiers

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