input word = C00058531

Metabolite InformationStructural formula
Name Isopaeonisuffral
Formula C10H14O5
Mw 214.08412356
CAS RN 158069-30-8
C_ID C00058531
InChIKey KNVSYDKAXGHRJZ-OKJJWFQTSA-N
InChICode InChI=1S/C10H14O5/c1-9-3-7(12)5-2-10(9,13)15-8(14-9)6(5)4-11/h5-6,8,11,13H,2-4H2,1H3/t5-,6+,8+,9+,10-/m1/s1
SMILES C[C@]12CC(=O)[C@@H]3C[C@@]1(O)O[C@H](O2)[C@H]3CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia suffruticosa Ref.
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OrganismPaeonia suffruticosa
ReferenceM. Yoshikawa et al., Chem. Abs., (1994), 121, 231057.