input word = C00047086

Metabolite InformationStructural formula
Name Rotundine A
(-)-Rotundine A
Formula C15H21NO
Mw 231.1623143
CAS RN 270918-28-0
C_ID C00047086 ,
InChIKey RNURUJBYBMGADV-UHFFFAOYNA-N
InChICode InChI=1S/C15H21NO/c1-10(17)5-6-12-9-13-11(2)16-8-7-14(13)15(12,3)4/h7-8,12H,5-6,9H2,1-4H3/t12-/m1/s1
SMILES c1nc(c2c(c1)C([C@@H](C2)CCC(=O)C)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCyperus rotundus Ref.
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OrganismCyperus rotundus
ReferenceJeong,J.Nat.Prod.,63,(2000),673