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Concept information

Preferred term

4 دمتیل سیموندسین 2' (E) فرولات  

Type

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

charge

  • 0

formula

  • C25H31NO12

inchi

  • InChI=1S/C25H31NO12/c1-34-17-9-12(3-5-14(17)28)4-6-19(30)38-24-22(33)21(32)18(11-27)37-25(24)36-16-10-15(29)23(35-2)20(31)13(16)7-8-26/h3-7,9,15-16,18,20-25,27-29,31-33H,10-11H2,1-2H3/b6-4+,13-7-

inchikey

  • KZBHGKPXLHDZDW-VKIZFATHSA-N

mass

  • 537.518

monoisotopicmass

  • 537.18463

smiles

  • O(C/1CC(O)C(OC)C(O)/C1=C/C#N)C2OC(C(O)C(O)C2OC(=O)/C=C/C3=CC(OC)=C(O)C=C3)CO

subset

  • 2_STAR

synonym EXACT

  • [2-[(2E)-2-(cyanomethylidene)-3,5-dihydroxy-4-methoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:191582

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