input word = C00020397

Metabolite InformationStructural formula
Name Rotundone
Formula C15H22O
Mw 218.16706532
CAS RN 18374-76-0
C_ID C00020397 ,
InChIKey NUWMTBMCSQWPDG-LDIWCFHQNA-N
InChICode InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3/t10-,11-,12+/m0/s1
SMILES C12=C(C(=O)C[C@@H]1C)[C@H](CC[C@H](C2)C(=C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCyperaceaeCyperus rotundus Ref.
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