input word = C00058644

Metabolite InformationStructural formula
Name Paeonisothujone
Formula C10H14O3
Mw 182.09429431
CAS RN 158204-37-6
C_ID C00058644
InChIKey DIAWRORHQSYDTG-UHFFFAOYSA-N
InChICode InChI=1S/C10H14O3/c1-8(12)5-13-9(2)4-7(11)6-3-10(6,8)9/h6,12H,3-5H2,1-2H3
SMILES CC1(O)COC2(C)CC(=O)C3CC312
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia suffruticosa Ref.
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