(Q104970284)

English

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid

chemical compound

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instance of

type of chemical entity

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subclass of

6-{[5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

492.0903907 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₀O₁₃

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canonical SMILES

O=C(O)C1OC(OC2=C(O)C=C(O)C=3C(=O)C=C(OC23)C=4C=CC(OC)=C(O)C4)C(O)C(O)C1O

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isomeric SMILES

COc1ccc(-c2cc(=O)c3c(O)cc(O)c(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)c3o2)cc1O

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found in taxon

Lavandula coronopifolia

1 reference

stated in

Hypolaetin 8-O-glucuronide and related flavonoids from Lavandula coronopifolia and L. pubescens

Lavandula maroccana

1 reference

stated in

Leaf flavonoids as systematic characters in the genera Lavandula and Sabaudia

Lavandula pubescens

1 reference

stated in

Hypolaetin 8-O-glucuronide and related flavonoids from Lavandula coronopifolia and L. pubescens

Malva sylvestris

1 reference

stated in

8-hydroxyflavonoid glucuronides from Malva sylvestris

Identifiers

InChI

InChI=1S/C22H20O13/c1-32-12-3-2-7(4-8(12)23)13-6-10(25)14-9(24)5-11(26)18(19(14)33-13)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-24,26-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1

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InChIKey

CUIJPIJRAYLBAL-NTKSAMNMSA-N

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CAS Registry Number

135010-46-7

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CUIJPIJRAYLBAL-NTKSAMNMSA-N

1 reference

1 reference

matched by identifier from

InChIKey

CUIJPIJRAYLBAL-NTKSAMNMSA-N

(Q104970284)

5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid

Statements

Identifiers

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