input word = C00047627

Metabolite InformationStructural formula
Name (3Z)-13-epi-Pinnatifidenyne
Formula C15H20BrClO
Mw 330.03860587
CAS RN 198831-25-3
C_ID C00047627 ,
InChIKey BWALZYVILRSXNY-XTHQGONCNA-N
InChICode InChI=1S/C15H20BrClO/c1-3-5-6-11-15-13(17)9-7-8-10-14(18-15)12(16)4-2/h1,5-8,12-15H,4,9-11H2,2H3/b6-5-,8-7-/t12-,13+,14+,15+/m1/s1
SMILES C1=CC[C@@H]([C@@H](O[C@@H](C1)[C@H](Br)CC)C/C=C\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia fasciata Ref.
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OrganismAplysia fasciata
ReferenceIoannou,J.Nat.Prod.,72,(2009),1716