input word = C00055704

Metabolite InformationStructural formula
Name Aethusanol A
Formula C13H16O
Mw 188.12011513
CAS RN 462-67-9
C_ID C00055704
InChIKey GEENZQOWBUUIOA-DJCVSYIJSA-N
InChICode InChI=1S/C13H16O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h3,5,10,12-14H,4,11H2,1-2H3/b5-3+,12-10+/t13-/m1/s1
SMILES C/C=C/C#CC#C/C=C/[C@H](O)CCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Aethusa cynapium Ref.
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