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Concept information

Preferred term

diinsinin  

Type

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

charge

  • 0

formula

  • C36H32O15

inchi

  • InChI=1S/C36H32O15/c37-13-27-31(44)32(45)33(46)35(49-27)47-17-8-21(41)28-18-12-36(50-25(28)9-17,15-3-6-19(39)20(40)7-15)51-26-11-23(43)30-22(42)10-24(48-34(30)29(18)26)14-1-4-16(38)5-2-14/h1-9,11,18,24,27,31-33,35,37-41,43-46H,10,12-13H2/t18-,24-,27-,31-,32+,33-,35-,36-/m1/s1

inchikey

  • FTKAVFCYTQUGTN-BNDLDUQUSA-N

mass

  • 704.63030

monoisotopicmass

  • 704.17412

smiles

  • [H][C@@]1(CC(=O)c2c(O)cc3O[C@]4(C[C@]([H])(c5c(O)cc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)cc5O4)c3c2O1)c1ccc(O)c(O)c1)c1ccc(O)cc1

subset

  • 3_STAR

synonym EXACT

  • (2R,8R,14R)-8-(3,4-dihydroxyphenyl)-5,13-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H,14H-8,14-methanochromeno[7,8-d][1,3]benzodioxocin-11-yl beta-D-glucopyranoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65793

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