input word = C00061410

Metabolite InformationStructural formula
Name 2-Decarboxybetanidin
Formula C17H16N2O6
Mw 344.10083626
CAS RN 32101-25-0
C_ID C00061410
InChIKey AOJKKRCCSGQOEF-LBPRGKRZSA-N
InChICode InChI=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/h1,3,5,7-8,12,20-21H,2,4,6H2,(H,22,23)(H,24,25)/t12-/m0/s1
SMILES O=C(O)C1=NC(C(=O)O)CC(C=CN2CCc3cc(O)c(O)cc32)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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