input word = C00048016

Metabolite InformationStructural formula
Name Mononorvalerenone
Formula C14H22O2
Mw 222.16197995
CAS RN 1181224-14-5
C_ID C00048016 ,
InChIKey VESROWPDCSMBRM-XXSWUSOONA-N
InChICode InChI=1S/C14H22O2/c1-9-4-5-11(8-10(2)15)14-12(9)6-7-13(14,3)16-14/h9,11-12H,4-8H2,1-3H3/t9-,11+,12-,13+,14-/m1/s1
SMILES CC(=O)C[C@@H]1CC[C@@H](C)[C@H]2CC[C@]3(C)O[C@]123
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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OrganismValeriana officinalis
ReferenceWang,J.Nat.Prod.,72,(2009),1682