C00010324 - Calea rotundifolia
C_ID C00010324
CAS RN 88153-61-1
Metabolite 6-Hydroxy-6-methyl-3,7-octadien-2-one
Molecular Formula C9H14O2
Organism Calea rotundifolia
Kingdom Plantae
Family Asteraceae
Genus Calea
SMILES C(=C\\C[C@@](C=C)(C)O)/C(=O)C
InChI InChI=1S/C9H14O2/c1-4-9(3,11)7-5-6-8(2)10/h4-6,11H,1,7H2,2-3H3/b6-5+/t9-/m0/s1
InChIKey PZFBSLPRWMFLJM-AATRIKPKNA-N
Reference Bohlmann,Phytochem.,20,(1981),1635
Structural formula image