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Concept information

Preferred term

kalbreclasine  

Type

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

Broader concept

charge

  • 0

formula

  • C20H23NO12

inchi

  • InChI=1S/C20H23NO12/c22-3-9-13(24)16(27)17(28)20(33-9)32-7-2-6-5-1-8-18(31-4-30-8)14(25)10(5)19(29)21-11(6)15(26)12(7)23/h1-2,7,9,11-13,15-17,20,22-28H,3-4H2,(H,21,29)/t7-,9+,11+,12+,13+,15-,16-,17+,20+/m0/s1

inchikey

  • SHDYPIISBMIEEN-IVALFBGTSA-N

mass

  • 469.397

monoisotopicmass

  • 469.12203

smiles

  • OC[C@H]1O[C@@H](O[C@H]2C=C3[C@@H](NC(=O)c4c(O)c5OCOc5cc34)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

subset

  • 2_STAR

synonym EXACT

  • Kalbreclasine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:6101

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