(Q105118940)

English

1-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

460.158076336 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₁₂

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canonical SMILES

O=C(C1=CC=C(OC)C=C1OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C

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isomeric SMILES

COc1ccc(C(C)=O)c(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1

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found in taxon

Paeonia × suffruticosa

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stated in

Inhibitors of aldose reductase and formation of advanced glycation end-products in moutan cortex (Paeonia suffruticosa).

Identifiers

InChI

InChI=1S/C20H28O12/c1-9(22)11-4-3-10(28-2)5-12(11)31-18-16(25)15(24)14(23)13(32-18)6-29-19-17(26)20(27,7-21)8-30-19/h3-5,13-19,21,23-27H,6-8H2,1-2H3/t13-,14-,15+,16-,17+,18-,19-,20-/m1/s1

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InChIKey

IRLNKOAURQPXIQ-LTRJMQNCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IRLNKOAURQPXIQ-LTRJMQNCSA-N

1 reference

0 references

(Q105118940)

1-[2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4-methoxyphenyl]ethanone

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Identifiers

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