input word = C00050320

Metabolite InformationStructural formula
Name 3-Acetoxy-E-gamma-Bisabolene
Formula C17H26O2
Mw 262.19328007
CAS RN 195823-86-0
C_ID C00050320 ,
InChIKey JDDQDMUSABHSGX-PEZBUJJGNA-N
InChICode InChI=1S/C17H26O2/c1-12(2)10-17(19-15(5)18)11-14(4)16-8-6-13(3)7-9-16/h6,10,17H,7-9,11H2,1-5H3/b16-14-/t17-/m0/s1
SMILES C1C(=CC/C(=C(\C)/C[C@@H](OC(=O)C)C=C(C)C)/C1)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia rigida Ref.
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