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Concept information

Preferred term

diinsininol  

Type

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

charge

  • 0

formula

  • C36H32O16

has_functional_parent

inchi

  • InChI=1S/C36H32O16/c37-12-27-31(45)32(46)33(47)35(50-27)48-15-7-21(42)28-16-11-36(51-25(28)8-15,14-2-4-18(39)20(41)6-14)52-26-10-23(44)30-22(43)9-24(49-34(30)29(16)26)13-1-3-17(38)19(40)5-13/h1-8,10,16,24,27,31-33,35,37-42,44-47H,9,11-12H2/t16-,24-,27-,31-,32+,33-,35-,36-/m1/s1

inchikey

  • DQBZPEAEXINSNR-QUCAXYRHSA-N

mass

  • 720.62970

monoisotopicmass

  • 720.16903

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)c(O)c1

subset

  • 3_STAR

synonym EXACT

  • (2R,8R,14R)-2,8-bis(3,4-dihydroxyphenyl)-5,13-dihydroxy-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:65792

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