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Concept information

Preferred term

4-p-coumaroylquinic acid  

Type

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

charge

  • 0

formula

  • C16H18O8

has_functional_parent

inchi

  • InChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(20)24-14-11(18)7-16(23,15(21)22)8-12(14)19/h1-6,11-12,14,17-19,23H,7-8H2,(H,21,22)/t11-,12-,14-,16+/m1/s1

inchikey

  • XWRHBGVVCOSNKO-NCZKRNLISA-N

mass

  • 338.312

monoisotopicmass

  • 338.10017

smiles

  • [H]C(=CC(=O)O[C@H]1[C@H](O)C[C@@](O)(C[C@H]1O)C(O)=O)C1=CC=C(O)C=C1

subset

  • 3_STAR

synonym EXACT

  • (1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:1945

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