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CHEBI:81317 - cyclo-Dopa-glucuronylglucoside

ChEBI IDCHEBI:81317
ChEBI Namecyclo-Dopa-glucuronylglucoside
Stars
DownloadsMolfile
FormulaC21H27NO15
Net Charge0
Average Mass533.439
Monoisotopic Mass533.13807
SMILESO=C(O)[C@@H]1Cc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2N1
InChIInChI=1S/C21H27NO15/c23-4-10-11(25)13(27)17(37-20-15(29)12(26)14(28)16(36-20)19(32)33)21(35-10)34-9-2-5-1-7(18(30)31)22-6(5)3-8(9)24/h2-3,7,10-17,20-29H,1,4H2,(H,30,31)(H,32,33)/t7-,10+,11+,12-,13-,14-,15+,16-,17+,20-,21+/m0/s1
InChIKeyNSZZLJRPLSVZFT-RZVKFFEFSA-N
ChEBI Ontology
Outgoing Relation(s)
cyclo-Dopa-glucuronylglucoside (CHEBI:81317) is a glucosiduronic acid (CHEBI:24302)
Manual XrefsDatabases
C17752KEGG COMPOUND