(Q105196493)

English

1alpha-(2-Oxo-6-carboxy-2H-pyran-3-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2beta,3-dicarboxylic acid 3-methyl ester

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-(2-Carboxy-6,7-dihydroxy-3-methoxycarbonyl-1,2-dihydronaphthalen-1-yl)-6-oxopyran-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

402.058696648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₁₄O₁₀

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canonical SMILES

O=C(O)C=1OC(=O)C(=CC1)C2C=3C=C(O)C(O)=CC3C=C(C(=O)OC)C2C(=O)O

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isomeric SMILES

COC(=O)C1=Cc2cc(O)c(O)cc2[C@H](c2ccc(C(=O)O)oc2=O)[C@H]1C(=O)O

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found in taxon

Syzygiella autumnalis

1 reference

stated in

Five lignan derivatives from in vitro cultures of the liverwort jamesoniella autumnalis

Identifiers

InChI

InChI=1S/C19H14O10/c1-28-18(26)10-4-7-5-11(20)12(21)6-9(7)14(15(10)17(24)25)8-2-3-13(16(22)23)29-19(8)27/h2-6,14-15,20-21H,1H3,(H,22,23)(H,24,25)/t14-,15-/m0/s1

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InChIKey

OPPJWDNHDLWRTA-GJZGRUSLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OPPJWDNHDLWRTA-GJZGRUSLSA-N

1 reference

(Q105196493)

1alpha-(2-Oxo-6-carboxy-2H-pyran-3-yl)-6,7-dihydroxy-1,2-dihydronaphthalene-2beta,3-dicarboxylic acid 3-methyl ester

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