(Q105234460)

English

3-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

quercetin 3-sophoroside

1 reference

based on heuristic

inferred from SMILES

3-[4,5-Dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

626.1482995 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

1 reference

based on heuristic

inferred from InChI

3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

1 reference

based on heuristic

inferred from InChI

quercetin 3-O-beta-D-glucosylgalactoside

1 reference

based on heuristic

inferred from InChI

3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₀O₁₇

0 references

canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5

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isomeric SMILES

O=c1c(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

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found in taxon

Bassia muricata

1 reference

stated in

Acylated flavonoid glycosides from Bassia muricata

Eriobotrya japonica

1 reference

stated in

Polyphenols from Eriobotrya japonica and their cytotoxicity against human oral tumor cell lines

Warburgia stuhlmannii

1 reference

stated in

Flavonol glycosides of Warburgia ugandensis leaves

Identifiers

InChI

InChI=1S/C27H30O17/c28-6-14-17(34)20(37)22(39)26(41-14)44-25-21(38)18(35)15(7-29)42-27(25)43-24-19(36)16-12(33)4-9(30)5-13(16)40-23(24)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,25-35,37-39H,6-7H2/t14-,15+,17-,18-,20+,21-,22-,25-,26+,27+/m1/s1

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InChIKey

RDUAJIJVNHKTQC-PPJSKWKESA-N

0 references

1 reference

26 December 2021

(Q105234460)

3-[(2S,3R,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Statements

Identifiers

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