input word = C00053889

Metabolite InformationStructural formula
Name Valeranone
Formula C15H26O
Mw 222.19836545
CAS RN 55528-90-0
C_ID C00053889
InChIKey HDVXJTYHXDVWQO-NWANDNLSSA-N
InChICode InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m0/s1
SMILES O=C1CCC[C@]2(C)CC[C@H](C(C)C)C[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeValerianaceae/Linnaeaceae/Dipsacaceae/DiervillaceaeValeriana officinalis Ref.
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