(Q105326360)

English

(1R,1'S)-1,1',2,2'-Tetrahydro-1beta,1'alpha-bis(3,4-dihydroxyphenyl)-6,6',7,7'-tetrahydroxy-5,5'-bi[naphthalene]-2alpha,2'beta,3,3'-tetracarboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

5-[6,7-Dicarboxy-5-(3,4-dihydroxyphenyl)-2,3-dihydroxy-5,6-dihydronaphthalen-1-yl]-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

714.122084752 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₂₆O₁₆

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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)O)C=4C(O)=C(O)C=C5C4C=C(C(=O)O)C(C(=O)O)C5C6=CC=C(O)C(O)=C6

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isomeric SMILES

O=C(O)C1=Cc2c(cc(O)c(O)c2-c2c(O)c(O)cc3c2C=C(C(=O)O)[C@H](C(=O)O)[C@H]3c2ccc(O)c(O)c2)[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)O

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found in taxon

Bazzania trilobata

1 reference

stated in

Lignans from the liverwort bazzania TRILOBATAfn2fn2Part 121 in the series of Arbeitskreis Chemie und Biologie der Moose. For part 120 see ref. [1].

Identifiers

InChI

InChI=1S/C36H26O16/c37-19-3-1-11(5-21(19)39)25-15-9-23(41)31(43)27(13(15)7-17(33(45)46)29(25)35(49)50)28-14-8-18(34(47)48)30(36(51)52)26(16(14)10-24(42)32(28)44)12-2-4-20(38)22(40)6-12/h1-10,25-26,29-30,37-44H,(H,45,46)(H,47,48)(H,49,50)(H,51,52)/t25-,26+,29-,30+

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InChIKey

XEIDYNIZTOEXSR-JXALSKIBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XEIDYNIZTOEXSR-JXALSKIBSA-N

1 reference

(Q105326360)

(1R,1'S)-1,1',2,2'-Tetrahydro-1beta,1'alpha-bis(3,4-dihydroxyphenyl)-6,6',7,7'-tetrahydroxy-5,5'-bi[naphthalene]-2alpha,2'beta,3,3'-tetracarboxylic acid

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Identifiers

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