(Q113960237)

English

(3R,4S)-4-(3,4-dihydroxyphenyl)-3-ethoxycarbonyl-6,7-dihydroxy-3,4-dihydronaphthalene-2-carboxylic acid

chemical compound

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Statements

type of chemical entity

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chemical compound

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386.100167536 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₈O₈

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canonical SMILES

O=C(O)C1=CC=2C=C(O)C(O)=CC2C(C3=CC=C(O)C(O)=C3)C1C(=O)OCC

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isomeric SMILES

CCOC(=O)[C@H]1C(C(=O)O)=Cc2cc(O)c(O)cc2[C@@H]1c1ccc(O)c(O)c1

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Isodon ternifolius

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Anti-inflammatory lignans and phenylethanoid glycosides from the root of Isodon ternifolius (D.Don) Kudô

Identifiers

InChI=1S/C20H18O8/c1-2-28-20(27)18-12(19(25)26)5-10-7-15(23)16(24)8-11(10)17(18)9-3-4-13(21)14(22)6-9/h3-8,17-18,21-24H,2H2,1H3,(H,25,26)/t17-,18-/m0/s1

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OCKABMGRENACSE-ROUUACIJSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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