(Q104971546)

English

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

chemical compound

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instance of

type of chemical entity

0 references

1 reference

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

354.095082156 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

1 reference

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

1 reference

based on heuristic

inferred from InChI

(Z)-neochlorogenic acid

1 reference

1 reference

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=Cc1ccc(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

Cydonia vulgaris

1 reference

stated in

Isolation and structure elucidation of antioxidant polyphenols from quince (Cydonia vulgaris) peels

Cydonia oblonga

1 reference

stated in

Isolation and structure elucidation of antioxidant polyphenols from quince (Cydonia vulgaris) peels

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)/t11-,12+,14-,16+/m0/s1

0 references

InChIKey

CWVRJTMFETXNAD-CQJJVWNLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CWVRJTMFETXNAD-CQJJVWNLSA-N

(Q104971546)

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

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