input word = C00061242

Metabolite InformationStructural formula
Name 2'-O-Glucosylisobetanin
Formula C30H36N2O18
Mw 712.19631236
CAS RN 28146-90-9
C_ID C00061242
InChIKey FSNFQLHTOIEQJP-UHFFFAOYSA-N
InChICode InChI=1S/C30H36N2O18/c33-8-18-20(36)22(38)24(40)29(48-18)50-25-23(39)21(37)19(9-34)49-30(25)47-17-6-11-5-15(28(45)46)32(14(11)7-16(17)35)2-1-10-3-12(26(41)42)31-13(4-10)27(43)44/h1-3,6-7,13,15,18-25,29-30,33-40H,4-5,8-9H2,(H,41,42)(H,43,44)(H,45,46)
SMILES O=C(O)C1=NC(C(=O)O)CC(C=CN2c3cc(O)c(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)cc3CC2C(=O)O)=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
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