input word = C00011928

Metabolite InformationStructural formula
Name [1S-[1a(Z),3a,4b]]-3-(3-Bromo-4-chloro-4-methylcyclohexyl)-4-oxo-2-pentenoic acid methyl ester
Formula C13H18BrClO3
Mw 336.01278505
CAS RN 112515-90-9
C_ID C00011928 ,
InChIKey QTMNXLZAJOBDAZ-HCJMBYKSNA-N
InChICode InChI=1S/C13H18BrClO3/c1-8(16)10(7-12(17)18-3)9-4-5-13(2,15)11(14)6-9/h7,9,11H,4-6H2,1-3H3/b10-7+/t9-,11+,13+/m1/s1
SMILES [C@@H]1(C[C@@H](CC[C@]1(C)Cl)/C(=C/C(=O)OC)/C(=O)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia caespitosa Ref.
zoom in



OrganismLaurencia caespitosa
ReferenceEstrada,Tetrahedron Lett.,28,(1987),687