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Concept information

Preferred term

1،3 کافئویل کوینات  

Type

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

Broader 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(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/p-1/b7-3+,8-4+/t19-,20-,23+,25-/m1/s1

inchikey

  • YDDUMTOHNYZQPO-RVXRWRFUSA-M

mass

  • 515.44350

monoisotopicmass

  • 515.11950

smiles

  • O[C@@H]1C[C@](C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1O)(OC(=O)/C=C/c1ccc(O)c(O)c1)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (1R,3R,4S,5R)-1,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxycyclohexane-1-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86332

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