(Q105138184)

English

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

Luteolin-5-o-beta-d-glucopyranoside

1 reference

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448.10056146 dalton

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based on heuristic

inferred from SMILES

stereoisomer of

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from InChI

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

1 reference

based on heuristic

inferred from InChI

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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C₂₁H₂₀O₁₁

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canonical SMILES

O=C1C=C(OC2=CC(O)=CC(OC3OC(CO)C(O)C(O)C3O)=C12)C=4C=CC(O)=C(O)C4

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isomeric SMILES

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c12

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found in taxon

Spiraea hypericifolia

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stated in

Flavones and their 5-glycosides from Spiraea hypericifolia

Identifiers

InChI

InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-15-5-9(23)4-14-17(15)12(26)6-13(30-14)8-1-2-10(24)11(25)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m0/s1

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InChIKey

KBGKQZVCLWKUDQ-RQUKQETFSA-N

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17 September 2022

inferred from InChIKey

1 reference

(Q105138184)

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

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