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Concept information

Preferred term

4-o-sinapoylquinic acid  

Type

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

alt_id

  • CHEBI:88357

charge

  • 0

formula

  • C18H22O10

inchi

  • InChI=1S/C18H22O10/c1-26-12-5-9(6-13(27-2)15(12)22)3-4-14(21)28-16-10(19)7-18(25,17(23)24)8-11(16)20/h3-6,10-11,16,19-20,22,25H,7-8H2,1-2H3,(H,23,24)/b4-3+/t10-,11-,16-,18+/m1/s1

inchikey

  • WKRKXTOYTASIOP-RKTLJHTASA-N

mass

  • 398.362

monoisotopicmass

  • 398.12130

smiles

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

subset

  • 3_STAR

synonym EXACT

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:75496

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