input word = C00002094

Metabolite InformationStructural formula
Name Isatidine
Formula C18H25NO7
Mw 367.16310216
CAS RN 15503-86-3
C_ID C00002094 ,
InChIKey IDIMIWQPUHURPV-DFOGLULXNA-N
InChICode InChI=1S/C18H25NO7/c1-3-12-8-11(2)18(23,10-20)17(22)25-9-13-4-6-19(24)7-5-14(15(13)19)26-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-,19-/m1/s1
SMILES [C@@H]12[N@+]3(CC=C1COC(=O)[C@@]([C@@H](C/C(=C\C)/C(=O)O[C@@H]2CC3)C)(O)CO)[O-]
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio bupleuroides Ref.
PlantaeAsteraceaeSenecio longifolius Ref.
PlantaeAsteraceaeSenecio longilobus Ref.
PlantaeAsteraceaeSenecio paucicazyculatus Ref.
PlantaeAsteraceaeSenecio scleratus Ref.
zoom in



OrganismSenecio longifolius
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)