input word = C00021631

Metabolite InformationStructural formula
Name Pacifenol
Formula C15H21Br2ClO2
Mw 425.95968342
CAS RN 33880-90-9
C_ID C00021631 ,
InChIKey WNGMEQXERFPHIP-YESMWKCNNA-N
InChICode InChI=1S/C15H21Br2ClO2/c1-11(2)14-7-9(16)12(3,18)8-10(14)20-15(11,17)6-5-13(14,4)19/h5-6,9-10,19H,7-8H2,1-4H3/t9-,10+,12+,13-,14+,15+/m1/s1
SMILES [C@@]12(C=C[C@@]([C@@]3(C1(C)C)C[C@H]([C@@](C[C@@H]3O2)(C)Cl)Br)(C)O)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataPythiaceaePhytophthora nicotianae Ref.
--Laurencia pacifica Ref.
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