input word = C00046867

Metabolite InformationStructural formula
Name Puertitol B acetate
Formula C17H26BrClO2
Mw 376.08047068
CAS RN 119736-70-8
C_ID C00046867 ,
InChIKey OSZNJZCBXHOYRJ-HYKCJJODNA-N
InChICode InChI=1S/C17H26BrClO2/c1-11(2)8-15(21-13(4)20)9-12(3)14-6-7-17(5,18)16(19)10-14/h8,15-16H,6-7,9-10H2,1-5H3/b14-12+/t15-,16+,17+/m1/s1
SMILES CC(=O)O[C@H](C=C(C)C)C/C(C)=C1CC[C@](C)(Br)[C@@H](Cl)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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