input word = C00002078

Metabolite InformationStructural formula
Name Anacrotine
Formula C18H25NO6
Mw 351.16818754
CAS RN 5096-49-1
C_ID C00002078 ,
InChIKey NPYPUYCITBTPSF-HSCDTPDJNA-N
InChICode InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1
SMILES [C@@H]12N3CC=C1COC(=O)[C@@]([C@@H](C/C(=C\C)/C(=O)O[C@@H]2[C@@H](C3)O)C)(O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio viravira Ref.
PlantaeFabaceaeCrotalaria agatiflora Ref.
PlantaeFabaceaeCrotalaria anagyroides Ref.
PlantaeFabaceaeCrotalaria incana Ref.
PlantaeFabaceaeCrotalaria laburnifolia Ref.
PlantaeFabaceaeCrotalaria micans Ref.
PlantaeFabaceaeCrotalaria rotundifolia Ref.
PlantaeFabaceaeCrotalaria verrucosa Ref.
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