input word = C00059562

Metabolite InformationStructural formula
Name 2,17-Bidecarboxy-2,3-dehydroneobetanin
Formula C22H22N2O9
Mw 458.13253032
CAS RN 1286196-09-5
C_ID C00059562
InChIKey KQBMJNNPVPBGMX-OUUKCGNVSA-N
InChICode InChI=1S/C22H22N2O9/c25-10-17-18(27)19(28)20(29)22(33-17)32-16-8-12-3-6-24(14(12)9-15(16)26)5-2-11-1-4-23-13(7-11)21(30)31/h1-9,17-20,22,25-29H,10H2,(H,30,31)/t17-,18-,19+,20-,22-/m1/s1
SMILES O=C(O)c1cc(C=Cn2ccc3cc(OC4OC(CO)C(O)C(O)C4O)c(O)cc32)ccn1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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