input word = C00011679

Metabolite InformationStructural formula
Name [S-[R*,S*-(E)]]-6-[6-(Acetyloxy)-1,5-dimethyl-4-hexenyl]-3-methyl-2-cyclohexen-1-one
Formula C17H26O3
Mw 278.1881947
CAS RN 81053-38-5
C_ID C00011679 ,
InChIKey LBPHJZYAXMUWEP-MQXOKVCVNA-N
InChICode InChI=1S/C17H26O3/c1-12-8-9-16(17(19)10-12)14(3)7-5-6-13(2)11-20-15(4)18/h6,10,14,16H,5,7-9,11H2,1-4H3/b13-6+/t14-,16+/m1/s1
SMILES C1C[C@H](C(=O)C=C1C)[C@@H](CC/C=C(\C)/COC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSenecio smithii Ref.
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