(Q104971608)

3-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylic acid

inferred from SMILES

1 reference

1 reference

3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid

1 reference

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

inferred from SMILES

1 reference

inferred from SMILES

mass

354.095082156 dalton

1 reference

2 references

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

2 references

(1S,3R,4S,5R)-3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

2 references

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(1R,3R,4S,5S)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid

2 references

2 references

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

2 references

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

2 references

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

2 references

(1S,3S,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid

1 reference

1 reference

1 reference

(Z)-neochlorogenic acid

1 reference

chemical formula

C₁₆H₁₈O₉

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canonical SMILES

O=C(O)C1(O)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1

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

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found in taxon

Chaerophyllum hirsutum

1 reference

Antioxidant compounds from Chaerophyllum hirsutum extracts

Cussonia arborea

1 reference

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

Ferula elaeochytris

1 reference

Activity of elaeochytrin A from Ferula elaeochytris on leukemia cell lines

Glehnia littoralis

1 reference

Constituents of the underground parts of Glehnia littoralis

Lonicera bournei

1 reference

Studies on the hepatocyte protective activity and the structure-activity relationships of quinic acid and caffeic acid derivatives from the flower buds of Lonicera bournei

Solanum melongena

1 reference

Anthocyanase and Anthocyanins Occurring in Eggplant, Solanum melongena L

Identifiers

InChI

InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m0/s1

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InChIKey

CWVRJTMFETXNAD-KJOPMHRFSA-N

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2 references

17 September 2022

matched by identifier from

InChIKey

CWVRJTMFETXNAD-KJOPMHRFSA-N

SureChEMBL ID

SCHEMBL13845477

2 references