input word = C00002100

Metabolite InformationStructural formula
Name Macrophylline
Formula C13H21NO3
Mw 239.15214354
CAS RN 27841-97-0
C_ID C00002100 ,
InChIKey LVZCTOQMFLAKLI-MQLSPTRQNA-N
InChICode InChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-11-5-4-6-14(11)7-12(10)15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11-,12+/m1/s1
SMILES [C@H]12N(C[C@@H]([C@@H]1COC(=O)/C(=C/C)/C)O)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio macrophyllus Ref.
PlantaeAsteraceaeSenecio nemorensis Ref.
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