(Q105322186)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

6-[2-(3,4-Dihydroxyphenyl)-5-hydroxy-6-methoxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

506.106040764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₂O₁₃

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canonical SMILES

O=C(O)C1OC(OC2=CC=3OC(=CC(=O)C3C(O)=C2OC)C=4C=CC(O)=C(O)C4)C(O)C(O)C1OC

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isomeric SMILES

COc1c(O[C@@H]2O[C@H](C(=O)O)[C@@H](OC)[C@H](O)[C@H]2O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O

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found in taxon

Salvia fruticosa

1 reference

stated in

Flavone glycosides of Salvia triloba

Identifiers

InChI

InChI=1S/C23H22O13/c1-32-19-14(35-23-18(29)17(28)20(33-2)21(36-23)22(30)31)7-13-15(16(19)27)11(26)6-12(34-13)8-3-4-9(24)10(25)5-8/h3-7,17-18,20-21,23-25,27-29H,1-2H3,(H,30,31)/t17-,18-,20+,21+,23-/m1/s1

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InChIKey

WYFZWYLOZDUSCC-GHJIKITLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WYFZWYLOZDUSCC-GHJIKITLSA-N

(Q105322186)

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

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Identifiers

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