(Q105119888)

English

8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

8-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

610.15338488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₀O₁₆

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canonical SMILES

O=C1C=C(OC=2C(OC3OC(CO)C(O)C(O)C3OC4OCC(O)C(O)C4O)=C(O)C=C(O)C12)C=5C=CC(O)=C(OC)C5

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isomeric SMILES

COc1cc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)c3o2)ccc1O

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found in taxon

Setaria italica

1 reference

stated in

Flavone O- and C-glycosides from Setaria italica

Identifiers

InChI

InChI=1S/C27H30O16/c1-38-16-4-9(2-3-10(16)29)15-6-12(31)18-11(30)5-13(32)23(24(18)40-15)42-27-25(21(36)20(35)17(7-28)41-27)43-26-22(37)19(34)14(33)8-39-26/h2-6,14,17,19-22,25-30,32-37H,7-8H2,1H3/t14-,17-,19+,20-,21+,22-,25-,26+,27+/m1/s1

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InChIKey

ISXRSZPPLDTZOH-HXVZOAIXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ISXRSZPPLDTZOH-HXVZOAIXSA-N

(Q105119888)

8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

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Identifiers

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