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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

4 بنزوئیلوکسی بوتیل گلوکوزینولات  

Type

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

Broader concept

charge

  • -1

formula

  • C18H24NO11S2

inchi

  • InChI=1S/C18H25NO11S2/c20-10-12-14(21)15(22)16(23)18(29-12)31-13(19-30-32(25,26)27)8-4-5-9-28-17(24)11-6-2-1-3-7-11/h1-3,6-7,12,14-16,18,20-23H,4-5,8-10H2,(H,25,26,27)/p-1/b19-13+/t12-,14-,15+,16-,18+/m1/s1

inchikey

  • IEVWTBIZULGLHA-XKYBNXMZSA-M

mass

  • 494.510

monoisotopicmass

  • 494.07963

smiles

  • OC[C@H]1O[C@@H](S/C(CCCCOC(=O)C2=CC=CC=C2)=N/OS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145996

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