(Z)-cryptochlorogenic acid (Q27266455)

inferred from InChIKey

mass

354.095093±0 dalton

1 reference

(1S,3R,4S,5R)-4-{[(2Z)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1,3,5-trihydroxycyclohexanecarboxylic acid (English)

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

14 October 2016

stereoisomer of

2 references

inferred from InChIKey

inferred from InChI

cryptochlorogenic acid

1 reference

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

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₁₆H₁₈O₉

1 reference

inferred from SMILES

canonical SMILES

C1=C(C=C(C(=C1)O)O)C=CC(=O)OC2C(CC(CC2O)(O)C(=O)O)O

1 reference

(Z)-cryptochlorogenic acid (English)

14 October 2016

isomeric SMILES

C1=C(C=C(C(=C1)O)O)/C=C\C(=O)O[C@H]2[C@@H](C[C@](C[C@H]2O)(O)C(=O)O)O

1 reference

(Z)-cryptochlorogenic acid (English)

InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(21)25-14-11(19)6-16(24,15(22)23)7-12(14)20/h1-5,11-12,14,17-20,24H,6-7H2,(H,22,23)/b4-2-/t11-,12-,14-,16+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

(Z)-cryptochlorogenic acid (English)

GYFFKZTYYAFCTR-XYXZIBEBSA-N

14 October 2016

InChIKey

1 reference

(Z)-cryptochlorogenic acid (English)

14 October 2016

1 reference

(Z)-cryptochlorogenic acid (English)

14 October 2016

1 reference

(1S,3R,4S,5R)-4-{[(2Z)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-1,3,5-trihydroxycyclohexanecarboxylic acid (English)

14 October 2016

2 references

(Z)-cryptochlorogenic acid (English)