input word = C00002080

Metabolite InformationStructural formula
Name Angularine
Formula C18H25NO6
Mw 351.16818754
CAS RN 1354-37-6
C_ID C00002080 ,
InChIKey MCWACAVORNFEFS-RBNOEBLINA-N
InChICode InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4-/t12-,13+,14+,15+,18+/m0/s1
SMILES [C@@H]12N3C[C@H]([C@@H]1COC(=O)[C@@](C(=C)C/C(=C\C)/C(=O)O[C@@H]2CC3)(O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio angulatus Ref.
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