input word = C00059008

Metabolite InformationStructural formula
Name 17-Decarboxyisobetanidin
Formula C17H16N2O6
Mw 344.10083626
CAS RN 104331-28-4
C_ID C00059008
InChIKey KZYRXTIIFUWUTB-WCQYABFASA-N
InChICode InChI=1S/C17H16N2O6/c20-14-7-10-6-13(17(24)25)19(12(10)8-15(14)21)4-2-9-1-3-18-11(5-9)16(22)23/h1-4,7-8,11,13,20-21H,5-6H2,(H,22,23)(H,24,25)/t11-,13+/m0/s1
SMILES O=C(O)C1CC(C=CN2c3cc(O)c(O)cc3CC2C(=O)O)=CC=N1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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