input word = C00012531

Metabolite InformationStructural formula
Name (-)-Tochuinyl acetate
Tochuinol acetate
Tochuinyl acetate
Formula C17H24O2
Mw 260.17763001
CAS RN 111621-35-3
C_ID C00012531 ,
InChIKey ZHOBFAUFESISCM-UHFFFAOYNA-N
InChICode InChI=1S/C17H24O2/c1-13-6-8-15(9-7-13)17(4)11-5-10-16(17,3)12-19-14(2)18/h6-9H,5,10-12H2,1-4H3/t16-,17+/m1/s1
SMILES CC(=O)OCC1(C)CCCC1(C)c1ccc(C)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaTritoniidaeTochuina tetraquetra Ref.
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