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Concept information

Preferred term

سیانیدین 3 گلوکوزید 5 کافئویل گلوکوزید  

Type

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

charge

  • +1

formula

  • C36H37O19

inchi

  • InChI=1S/C36H36O19/c37-12-25-28(44)30(46)32(48)36(54-25)53-24-11-17-22(51-34(24)15-3-5-19(40)21(42)8-15)9-16(38)10-23(17)52-35-33(49)31(47)29(45)26(55-35)13-50-27(43)6-2-14-1-4-18(39)20(41)7-14/h1-11,25-26,28-33,35-37,44-49H,12-13H2,(H4-,38,39,40,41,42,43)/p+1/t25-,26-,28-,29-,30+,31+,32-,33-,35-,36-/m1/s1

inchikey

  • DBWNTBWELCRVQD-AQAMAIGXSA-O

mass

  • 773.66760

monoisotopicmass

  • 773.19236

smiles

  • OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)c(O)c5)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:80478

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