input word = C00021989

Metabolite InformationStructural formula
Name Pulchellon
Formula C12H18O3
Mw 210.12559444
CAS RN 58210-32-5
C_ID C00021989 ,
InChIKey JNPHSTNWTXPSFQ-KTJPVCNXNA-N
InChICode InChI=1S/C12H18O3/c1-6-3-8(13)7-4-11(2)9(14)5-12(7,15)10(6)11/h6-7,9-10,14-15H,3-5H2,1-2H3/t6-,7-,9-,10-,11-,12+/m1/s1
SMILES C[C@@H]1CC(=O)C2C[C@@]3(C)C1[C@]2(O)C[C@H]3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia pulchella Ref.
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OrganismGaillardia pulchella
ReferenceInayama,Chem. Pharm. Bull.,23,(1975),2998