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Concept information

Preferred term

4،5 دی O کافئویل کوینات  

Type

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

charge

  • -1

formula

  • C25H23O12

inchi

  • InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/p-1/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1

inchikey

  • UFCLZKMFXSILNL-PSEXTPKNSA-M

mass

  • 515.448

monoisotopicmass

  • 515.11950

smiles

  • C1[C@H]([C@H]([C@H](OC(/C=C/C2=CC=C(C(=C2)O)O)=O)C[C@]1(O)C(=O)[O-])OC(/C=C/C3=CC(=C(C=C3)O)O)=O)O

subset

  • 2_STAR

synonym EXACT

  • 4,5-di-O-caffeoyl quinate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232974

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