(Q105257671)

English

(1R,2S)-1-(3,4-dihydroxyphenyl)-3-[[(2R,3R,4S,5S)-5-[(2R)-2,3-dihydroxypropyl]-3,4-dihydroxyoxolan-2-yl]methoxycarbonyl]-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

1-(3,4-Dihydroxyphenyl)-3-[[5-(2,3-dihydroxypropyl)-3,4-dihydroxyoxolan-2-yl]methoxycarbonyl]-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

1 reference

1 reference

548.152990956 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₈O₁₃

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canonical SMILES

O=C(O)C1C(=CC=2C=C(O)C(O)=CC2C1C3=CC=C(O)C(O)=C3)C(=O)OCC4OC(CC(O)CO)C(O)C4O

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isomeric SMILES

O=C(OC[C@H]1O[C@@H](C[C@@H](O)CO)[C@@H](O)[C@H]1O)C1=Cc2cc(O)c(O)cc2[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/C26H28O13/c27-8-12(28)6-19-23(33)24(34)20(39-19)9-38-26(37)14-3-11-5-17(31)18(32)7-13(11)21(22(14)25(35)36)10-1-2-15(29)16(30)4-10/h1-5,7,12,19-24,27-34H,6,8-9H2,(H,35,36)/t12-,19+,20-,21-,22-,23-,24+/m1/s1

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InChIKey

SPXXGPHPASGHLM-WCDXREMFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SPXXGPHPASGHLM-WCDXREMFSA-N

(Q105257671)

(1R,2S)-1-(3,4-dihydroxyphenyl)-3-[[(2R,3R,4S,5S)-5-[(2R)-2,3-dihydroxypropyl]-3,4-dihydroxyoxolan-2-yl]methoxycarbonyl]-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

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Identifiers

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