(Q105382278)

English

(1R,2S)-3-[(2R,3R,4S,5S)-2-[(2S)-2-carboxy-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-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

3-({[2-(2-carboxy-2-hydroxyethyl)-4,5-dihydroxyoxan-3-yl]oxy}carbonyl)-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

1 reference

1 reference

562.132255512 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₂₆O₁₄

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canonical SMILES

O=C(O)C(O)CC1OCC(O)C(O)C1OC(=O)C2=CC=3C=C(O)C(O)=CC3C(C4=CC=C(O)C(O)=C4)C2C(=O)O

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isomeric SMILES

O=C(O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@H]1C[C@H](O)C(=O)O)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

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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/C26H26O14/c27-13-2-1-9(4-14(13)28)20-11-6-16(30)15(29)5-10(11)3-12(21(20)25(36)37)26(38)40-23-19(7-17(31)24(34)35)39-8-18(32)22(23)33/h1-6,17-23,27-33H,7-8H2,(H,34,35)(H,36,37)/t17-,18-,19+,20+,21+,22-,23-/m0/s1

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InChIKey

ZRVQPXBHLQIZMJ-IJZRVPMXSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105382278)

(1R,2S)-3-[(2R,3R,4S,5S)-2-[(2S)-2-carboxy-2-hydroxyethyl]-4,5-dihydroxyoxan-3-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

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Identifiers

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