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.
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OrganismSenecio scleratus
Referencede Waal,Nature,146,(1940),777