input word = C00057675

Metabolite InformationStructural formula
Name 3-Oxo-PQ 1
Formula C18H26O3
Mw 290.1881947
CAS RN 943988-07-6
C_ID C00057675
InChIKey FLDFUMKDDULMFL-ROUUACIJSA-N
InChICode InChI=1S/C18H26O3/c1-4-6-7-8-12-15-18(21-3)17(20)14-11-9-10-13-16(19)5-2/h5,17-18,20H,2,4,6-8,12,14-15H2,1,3H3/t17-,18-/m0/s1
SMILES C=CC(=O)C#CC#CC[C@H](O)[C@H](CCCCCCC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax quinquefolium Ref.
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OrganismPanax quinquefolium
ReferenceMatsunaga, H. et al., Chem. Pharm. Bull., 1989, 37, 1279 (isol, uv, pmr, cmr, synth)