(Q104938520)

English

(1R,3S,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Coumaroyl quinic acid (isomer of 758, 760)

1 reference

based on heuristic

inferred from SMILES

Cyclohexanecarboxylic acid,1,3,4-trihydroxy-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-,(1r,3r,4s,5r)-

1 reference

based on heuristic

inferred from SMILES

mass

338.100167536 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3-p-Coumaroylquinic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,3S,4S,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

3-p-coumaroylquinic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1S,3R,4R,5S)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

5-p-coumaroylquinic acid

1 reference

based on heuristic

inferred from InChI

trans-5-O-(4-coumaroyl)-D-quinic acid

1 reference

based on heuristic

inferred from InChI

p-Coumaroylquinic acid

1 reference

based on heuristic

inferred from InChI

(Z)-5-p-coumaroylquinic acid

1 reference

based on heuristic

inferred from InChI

BMRSEYFENKXDIS-DUPGQFARSA-N

1 reference

based on heuristic

inferred from InChI

(1R,3S,4S,5S)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(1S,3R,4R,5S)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid

1 reference

based on heuristic

inferred from InChI

(Z)-3-p-coumaroylquinic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₁₈O₈

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canonical SMILES

O=C(OC1CC(O)(C(=O)O)CC(O)C1O)C=CC2=CC=C(O)C=C2

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isomeric SMILES

O=C(/C=C/c1ccc(O)cc1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]1O

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found in taxon

Cydonia oblonga

1 reference

stated in

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

Cydonia vulgaris

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12+,14-,16+/m0/s1

0 references

InChIKey

BMRSEYFENKXDIS-ZBUWTJEHSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104938520)

(1R,3S,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid

Statements

Identifiers

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