input word = C00020951

Metabolite InformationStructural formula
Name 3-Oxo-4-guaien-12,8beta-olide
Formula C15H20O3
Mw 248.1412445
CAS RN 5655-56-1
C_ID C00020951 ,
InChIKey DUMCJGUZARULAI-UECKLZTRNA-N
InChICode InChI=1S/C15H20O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,9-10,12,14H,4-6H2,1-3H3/t7-,9+,10+,12+,14+/m0/s1
SMILES [C@H]12C(=C(C(=O)C2)C)C[C@H]2[C@@H](C[C@@H]1C)OC(=O)[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGeigeria alata Ref.
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OrganismGeigeria alata
ReferenceZdero,Phytochem.,28,(1989),3105