(Q105288189)

English

(2R)-3-(3,4-dihydroxyphenyl)-2-[(1S,2R)-1-(3,4-dihydroxyphenyl)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethoxy]carbonyl-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-propanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2R)-2-[(4R)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydronaphthalene-2-carbonyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid

1 reference

based on heuristic

inferred from SMILES

2-(3-{[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3,4-dihydronaphthalene-2-carbonyloxy)-3-(3,4-dihydroxyphenyl)propanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

718.15338488 dalton

1 reference

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₆H₃₀O₁₆

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canonical SMILES

O=C(O)C(OC(=O)C1=CC=2C=C(O)C(O)=CC2C(C3=CC=C(O)C(O)=C3)C1C(=O)OC(C(=O)O)CC4=CC=C(O)C(O)=C4)CC5=CC=C(O)C(O)=C5

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isomeric SMILES

O=C(O[C@H](Cc1ccc(O)c(O)c1)C(=O)O)C1=Cc2cc(O)c(O)cc2[C@H](c2ccc(O)c(O)c2)[C@H]1C(=O)O[C@H](Cc1ccc(O)c(O)c1)C(=O)O

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found in taxon

Arnebia euchroma

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stated in

Anti-AIDS agents, 18. Sodium and potassium salts of caffeic acid tetramers from Arnebia euchroma as anti-HIV agents

Lithospermum erythrorhizon

1 reference

stated in

Inhibitory effect of the Agrobacterium rhizogenes rolC gene on rabdosiin and rosmarinic acid production in Eritrichium sericeum and Lithospermum erythrorhizon transformed cell cultures.

Identifiers

InChI

InChI=1S/C36H30O16/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48)/t29-,30-,31+,32+/m1/s1

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InChIKey

VKWZFIDWHLCPHJ-ZRTHHSRSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VKWZFIDWHLCPHJ-ZRTHHSRSSA-N

1 reference

(Q105288189)

(2R)-3-(3,4-dihydroxyphenyl)-2-[(1S,2R)-1-(3,4-dihydroxyphenyl)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethoxy]carbonyl-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-propanoic acid

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