input word = C00002070

Metabolite InformationStructural formula
Name Ruspolinone
Formula C14H19NO3
Mw 249.13649348
CAS RN 60890-27-9
C_ID C00002070 ,
InChIKey TYXKSMFICLVQCO-UHFFFAOYNA-N
InChICode InChI=1S/C14H19NO3/c1-17-13-6-5-10(8-14(13)18-2)12(16)9-11-4-3-7-15-11/h5-6,8,11,15H,3-4,7,9H2,1-2H3/t11-/m1/s1
SMILES C1CN[C@H](C1)CC(=O)c1ccc(c(c1)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeRuspolia hypocrateriformis Ref.
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