(Q104396303)

English

[(4aR,10bR)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₂₁H₂₀O₁₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

480.0903907 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₀O₁₃

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canonical SMILES

O=C(OC1C(O)C(OC2C3=C(O)C(OC)=C(O)C=C3C(=O)OC21)CO)C4=CC(O)=C(O)C(O)=C4

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isomeric SMILES

COc1c(O)cc2c(c1O)[C@H]1OC(CO)C(O)C(OC(=O)c3cc(O)c(O)c(O)c3)[C@@H]1OC2=O

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found in taxon

Mallotus japonicus

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stated in

Gallic acid esters of bergenin and norbergenin from Mallotus japonicus

Bergenia purpurascens

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stated in

Galloylarbutin and other polyphenols from Bergenia purpurascens☆

Identifiers

InChI

InChI=1S/C21H20O13/c1-31-16-10(25)4-7-12(15(16)28)17-19(34-21(7)30)18(14(27)11(5-22)32-17)33-20(29)6-2-8(23)13(26)9(24)3-6/h2-4,11,14,17-19,22-28H,5H2,1H3/t11?,14?,17-,18?,19-/m1/s1

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InChIKey

QKSHSFQTWCKTFV-BKHLDQITSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QKSHSFQTWCKTFV-BKHLDQITSA-N

(Q104396303)

[(4aR,10bR)-3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]isochromen-4-yl] 3,4,5-trihydroxybenzoate

Statements

Identifiers

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