input word = C00049424

Metabolite InformationStructural formula
Name Apakaochtodene B
Formula C10H14BrCl3
Mw 317.93444648
CAS RN 248949-49-7
C_ID C00049424 ,
InChIKey WMQLQCCLGFMTKH-LJWHHSFANA-N
InChICode InChI=1S/C10H14BrCl3/c1-10(2)8(11)5-7(13)6(3-4-12)9(10)14/h3,7-9H,4-5H2,1-2H3/b6-3+/t7-,8-,9-/m0/s1
SMILES CC1(C)[C@@H](Br)C[C@H](Cl)/C(=CCCl)[C@@H]1Cl
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Portieria hornemannii Ref.
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