input word = C00059565

Metabolite InformationStructural formula
Name 2-Decarboxy-2,3-dehydroneobetanin
Formula C23H22N2O11
Mw 502.12235956
CAS RN 1286196-12-0
C_ID C00059565
InChIKey ZCBAIQWYVODIGI-DUXQTRJFSA-N
InChICode InChI=1S/C23H22N2O11/c26-9-17-18(28)19(29)20(30)23(36-17)35-16-7-11-2-4-25(14(11)8-15(16)27)3-1-10-5-12(21(31)32)24-13(6-10)22(33)34/h1-8,17-20,23,26-30H,9H2,(H,31,32)(H,33,34)/t17-,18-,19+,20-,23-/m1/s1
SMILES O=C(O)c1cc(C=Cn2ccc3cc(OC4OC(CO)C(O)C(O)C4O)c(O)cc32)cc(C(=O)O)n1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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