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CHEBI:28569 - quinidine polygalacturonate

ChEBI IDCHEBI:28569
ChEBI Namequinidine polygalacturonate
Stars
Secondary ChEBI IDsCHEBI:8721, CHEBI:26496
Last Modified6 March 2017
DownloadsMolfile
FormulaC20H24N2O2.C6H10O7
Net Charge0
Average Mass518.563
Monoisotopic Mass518.22643
SMILESO=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O.[H][C@]1([C@@H](O)c2ccnc3ccc(OC)cc23)CC2CCN1C[C@@H]2C=C
WURCSWURCS=2.0/1,1,0/[o2112A]/1/
InChIInChI=1S/C20H24N2O2.C6H10O7/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-5,8-11H,(H,12,13)/t13-,14?,19+,20-;2-,3+,4+,5-/m00/s1
InChIKeyKUTGSSTVCUKONV-JWVVETNKSA-N
ChEBI Ontology
Outgoing Relation(s)
quinidine polygalacturonate (CHEBI:28569) is a polygalacturonates (CHEBI:25860)
Synonyms  Source
Quinidine polygalacturonateKEGG COMPOUND
quinidine polygalacturonateChEBI
Manual XrefsDatabases
D00643KEGG DRUG
Registry NumbersSources
CAS:27555-34-6KEGG COMPOUND