(Q105379105)

English

3-[[(2R,3S,4S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

chemical compound

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instance of

type of chemical entity

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subclass of

3-[(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-oxopropanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

712.148693424 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Quercetin 7-glucoside 3-(6''-malonylglucoside)

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₂O₂₀

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canonical SMILES

O=C(O)CC(=O)OCC1OC(OC=2C(=O)C3=C(O)C=C(OC4OC(CO)C(O)C(O)C4O)C=C3OC2C=5C=CC(O)=C(O)C5)C(O)C(O)C1O

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isomeric SMILES

O=C(O)CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O[C@@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc(O)c3c2=O)[C@@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Ranunculus fluitans

1 reference

stated in

Quercetin glycosides from European aquatic Ranunculus species of subgenus Batrachium

Identifiers

InChI

InChI=1S/C30H32O20/c31-7-15-20(38)23(41)25(43)29(48-15)46-10-4-13(34)19-14(5-10)47-27(9-1-2-11(32)12(33)3-9)28(22(19)40)50-30-26(44)24(42)21(39)16(49-30)8-45-18(37)6-17(35)36/h1-5,15-16,20-21,23-26,29-34,38-39,41-44H,6-8H2,(H,35,36)/t15-,16+,20+,21+,23-,24-,25-,26-,29+,30-/m0/s1

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InChIKey

ZLQYEKDHCDLAGO-WZEHJWSESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105379105)

3-[[(2R,3S,4S,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid

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