(Q104989133)

English

(2R,3R,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(2S,3S,4S,5R)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

1 reference

1 reference

478.074740636 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Quercetin 3-O-beta-D-galacturonopyranoside

1 reference

based on heuristic

inferred from InChI

(2S,3S,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from InChI

3',4',5,7-Tetrahydroxyflavon-3-yl alpha-D-glucopyranosiduronic acid

1 reference

1 reference

C₂₁H₁₈O₁₃

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canonical SMILES

O=C(O)C1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=C(O)C4)C(O)C(O)C1O

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isomeric SMILES

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

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found in taxon

Sorbaria sorbifolia

1 reference

stated in

Phenolic compounds ofSorbaria sorbifolia

Identifiers

InChI

InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21-/m1/s1

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InChIKey

DUBCCGAQYVUYEU-NESBCBRFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DUBCCGAQYVUYEU-NESBCBRFSA-N

(Q104989133)

(2R,3R,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

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