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Concept information

Preferred term

cis-5-caffeoyl-quinic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C16H18O9

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-/m1/s1

inchikey

  • CWVRJTMFETXNAD-DJTMHQFBSA-N

mass

  • 354.311

monoisotopicmass

  • 354.09508

smiles

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

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:143538

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