(Q105202046)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[2-[4,5-Dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

786.200728996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₇H₃₈O₁₉

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1OC2C(O)C(O)C(OC2OC3=CC(O)=C4C(=O)C=C(OC4=C3)C=5C=CC(O)=C(OC)C5)CO)CO)C=CC6=CC=C(O)C(O)=C6

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isomeric SMILES

COc1cc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)/C=C/c4ccc(O)c(O)c4)cc3o2)ccc1O

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found in taxon

Sideritis ozturkii

2 references

stated in

Three acylated flavone glycosides from Sideritis ozturkii Aytac & Aksoy

stated in

Three acylated flavone glycosides from Sideritis ozturkii Aytac & Aksoy

Identifiers

InChI

InChI=1S/C37H38O19/c1-50-24-9-16(4-6-19(24)41)23-12-22(44)29-21(43)10-17(11-25(29)52-23)51-36-35(33(49)31(47)26(13-38)53-36)56-37-34(32(48)30(46)27(14-39)54-37)55-28(45)7-3-15-2-5-18(40)20(42)8-15/h2-12,26-27,30-43,46-49H,13-14H2,1H3/b7-3+/t26-,27-,30-,31-,32+,33+,34-,35-,36-,37+/m1/s1

0 references

InChIKey

OWJPGUSQKTZURC-ARHFQXALSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OWJPGUSQKTZURC-ARHFQXALSA-N

1 reference

(Q105202046)

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

Statements

Identifiers

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