skip to main content

Content language

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

Concept information

Preferred term

پتونیدین 3 O بتا گلوکوزید  

Type

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

charge

  • +1

formula

  • C22H23O12

has_functional_parent

inchi

  • InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1

inchikey

  • CCQDWIRWKWIUKK-QKYBYQKWSA-O

mass

  • 479.41080

monoisotopicmass

  • 479.11840

smiles

  • COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31985

Download this concept: