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Concept information

Preferred term

5-p-coumaroylquinic acid  

Type

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

charge

  • 0

formula

  • C16H18O8

has_functional_parent

has_role

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)/t11-,12-,14-,16+/m1/s1

inchikey

  • BMRSEYFENKXDIS-NCZKRNLISA-N

mass

  • 338.30930

monoisotopicmass

  • 338.10017

smiles

  • O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O)C(O)=O

subset

  • 3_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:75500

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