(Q105145303)

English

(1R,3S,4R,5S)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

(-)-3,5-Dicaffeoyl quinic acid

1 reference

based on heuristic

inferred from SMILES

3,5-Bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4-dihydroxycyclohexane-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

Dicaffeoyl quinic acid

1 reference

based on heuristic

inferred from SMILES

mass

516.126776208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1R,3R,4R,5R)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3,5-dicaffeoylquinic acid

1 reference

based on heuristic

inferred from InChI

(-)-3,5-Dicaffeoyl quinic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₂₄O₁₂

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canonical SMILES

O=C(OC1CC(O)(C(=O)O)CC(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1O)C=CC3=CC=C(O)C(O)=C3

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@](O)(C(=O)O)C[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O

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found in taxon

Acmella ciliata

1 reference

stated in

New phenolic compounds of Acmella ciliata

Tanacetum balsamita

1 reference

stated in

Isolation, identification and activity of natural antioxidants from costmary (Chrysanthemum balsamita) cultivated in Lithuania

Cussonia arborea

1 reference

stated in

Isolation from Cussonia barteri of 1'-O-chlorogenoylchlorogenic acid and 1'-O-chlorogenoylneochlorogenic acid, a new type of quinic acid esters

Identifiers

InChI

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(30)36-19-11-25(35,24(33)34)12-20(23(19)32)37-22(31)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-29,32,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m0/s1

(Q105145303)

(1R,3S,4R,5S)-3,5-bis({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1,4-dihydroxycyclohexane-1-carboxylic acid

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