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CHEBI:81320 - 2-Descarboxy-betanidin

ChEBI IDCHEBI:81320
ChEBI Name2-Descarboxy-betanidin
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC17H17N2O6
Net Charge+1
Average Mass345.331
Monoisotopic Mass345.10811
SMILESO=C(O)C1=C/C(=C/C=[N+]2\CCc3cc(O)c(O)cc32)C[C@@H](C(=O)O)N1
InChIInChI=1S/C17H16N2O6/c20-14-7-10-2-4-19(13(10)8-15(14)21)3-1-9-5-11(16(22)23)18-12(6-9)17(24)25/h1,3,5,7-8,12H,2,4,6H2,(H4,20,21,22,23,24,25)/p+1/t12-/m0/s1
InChIKeyGHQCCRRSVBDNAW-LBPRGKRZSA-O
ChEBI Ontology
Outgoing Relation(s)
2-Descarboxy-betanidin (CHEBI:81320) is a indolium ion (CHEBI:52840)
Manual XrefsDatabases
C17757KEGG COMPOUND