Feedback

2-Descarboxy-betanidin

PropertiesImageOccurences in reactions
MNX_IDMNXM14235Image of MNXM14235
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC17H17N2O6
charge1
mass345.10811
referencechebi:81320
InChIKeyGHQCCRRSVBDNAW-LBPRGKRZSA-O
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
SMILESO=C(O)C1=C/C(=C/C=[N+]2\CCc3cc(O)c(O)cc32)C[C@@H](C(=O)O)N1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:81320
chebi:81320
kegg.compound:C17757
keggC:C17757
2-Descarboxy-betanidin
seed.compound:cpd17854
seedM:cpd17854
2-Descarboxy-betanidin
2-descarboxy-betanidin
metacyc.compound:CPD-8854
metacycM:CPD-8854
2-descarboxy-betanidin
keggC:M_C17757
seedM:M_cpd17854
secondary/obsolete/fantasy identifier