input word = C00052627

Metabolite InformationStructural formula
Name 2-Decarboxybetanin
Formula C23H26N2O11
Mw 506.15365969
CAS RN 340720-01-6
C_ID C00052627
InChIKey NKPOBGKIHKAVLR-FBJYTSLGSA-N
InChICode InChI=1S/C23H26N2O11/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/h1,3,5,7-8,13,17-20,23,26-30H,2,4,6,9H2,(H,31,32)(H,33,34)/b3-1+/t13-,17+,18+,19-,20+,23+/m0/s1
SMILES O=C(O)C1=N[C@H](C(=O)O)CC(/C=C/N2CCc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(O)cc32)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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