CHEBI:6101 - Kalbreclasine

ChEBI IDCHEBI:6101
ChEBI NameKalbreclasine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H23NO12
Net Charge0
Average Mass469.399
Monoisotopic Mass469.12203
SMILES[H][C@@]12NC(=O)c3c(cc4c(c3O)OCO4)C1=C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H]2O
InChIInChI=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
InChIKeySHDYPIISBMIEEN-IVALFBGTSA-N
ChEBI Ontology
Outgoing Relation(s)
Kalbreclasine (CHEBI:6101) is a phenanthridines (CHEBI:51245)
Synonym  Source
KalbreclasineKEGG COMPOUND
Manual XrefsDatabases
C08529KEGG COMPOUND
C00001573KNApSAcK
Registry NumbersSources
CAS:98900-01-7KEGG COMPOUND