(Q105216362)

English

3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

464.09547608 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₀O₁₂

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canonical SMILES

O=C1C(OC2OC(CO)C(O)C2O)=C(OC3=CC(OC)=CC(O)=C13)C=4C=C(O)C(O)=C(O)C4

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isomeric SMILES

COc1cc(O)c2c(=O)c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)c(-c3cc(O)c(O)c(O)c3)oc2c1

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found in taxon

Sageretia thea

1 reference

stated in

Polar Constituents fromSageretia TheaLeaf Characterized by HPLC-SPE-NMR Assisted Approaches

Identifiers

InChI

InChI=1S/C21H20O12/c1-30-8-4-9(23)14-12(5-8)31-19(7-2-10(24)15(26)11(25)3-7)20(17(14)28)33-21-18(29)16(27)13(6-22)32-21/h2-5,13,16,18,21-27,29H,6H2,1H3/t13-,16-,18+,21-/m0/s1

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InChIKey

PXTJWLQYYXBKQB-IMYKZHQLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PXTJWLQYYXBKQB-IMYKZHQLSA-N

(Q105216362)

3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one

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