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 [C@H]1([C@](CC/C(=C(\C[C@@H](C=C(C)C)OC(=O)C)/C)/C1)(Br)C)Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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OrganismAplysia dactylomela
ReferenceWassels,J.Nat.Prod.,63,(2000),920