input word = C00049520

Metabolite InformationStructural formula
Name Spicatine
Formula C12H17NO3
Mw 223.12084342
CAS RN 11053-08-0
C_ID C00049520 ,
InChIKey QUGJNGCHEUYEPN-UHFFFAOYNA-N
InChICode InChI=1S/C12H17NO3/c1-3-8-9-5-6-13-11(14)10(9)7-16-12(8)15-4-2/h3,8,12H,1,4-7H2,2H3,(H,13,14)/t8-,12+/m1/s1
SMILES C=CC1C2=C(COC1OCC)C(=O)NCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeTaxaceaeAustrotaxus spicata Ref.
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