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Concept information

Preferred term

2 متیل بوتیل گلوکوزینولیک اسید  

Type

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

charge

  • 0

formula

  • C12H23NO9S2

inchi

  • InChI=1S/C12H23NO9S2/c1-3-6(2)4-8(13-22-24(18,19)20)23-12-11(17)10(16)9(15)7(5-14)21-12/h6-7,9-12,14-17H,3-5H2,1-2H3,(H,18,19,20)/b13-8-/t6?,7-,9-,10+,11-,12+/m1/s1

inchikey

  • SPOQDEMWLUGCEW-VCAXDSDXSA-N

mass

  • 389.445

monoisotopicmass

  • 389.08142

smiles

  • [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N/OS(O)(=O)=O)/CC(CC)C

subset

  • 3_STAR

synonym EXACT

  • 1-S-[(1Z)-3-methyl-N-(sulfooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79335

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