input word = C00062998

Metabolite InformationStructural formula
Name 17-Decarboxyisobetanin
Formula C23H26N2O11
Mw 506.15365969
CAS RN 783305-28-2
C_ID C00062998
InChIKey CIGHSCKJNKXVRT-UDJZURIDSA-N
InChICode InChI=1S/C23H26N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-6-14(22(33)34)25(13(11)8-15(16)27)4-2-10-1-3-24-12(5-10)21(31)32/h1-4,7-8,12,14,17-20,23,26-30H,5-6,9H2,(H,31,32)(H,33,34)/t12-,14+,17-,18-,19+,20-,23-/m1/s1
SMILES O=C(O)C1CC(C=CN2c3cc(O)c(OC4OC(CO)C(O)C(O)C4O)cc3CC2C(=O)O)=CC=N1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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