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

Concept information

Preferred term

3 بنزوئیلوکسی پروپیل گلوکوزینولات  

Type

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

Broader concept

charge

  • -1

formula

  • C17H22NO11S2

inchi

  • InChI=1S/C17H23NO11S2/c19-9-11-13(20)14(21)15(22)17(28-11)30-12(18-29-31(24,25)26)7-4-8-27-16(23)10-5-2-1-3-6-10/h1-3,5-6,11,13-15,17,19-22H,4,7-9H2,(H,24,25,26)/p-1/b18-12+/t11-,13-,14+,15-,17+/m1/s1

inchikey

  • CGAALQATDWOQFD-DLRNHMSSSA-M

mass

  • 480.480

monoisotopicmass

  • 480.06398

smiles

  • OC[C@H]1O[C@@H](S/C(CCCOC(=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:145995

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