input word = C00021632

Metabolite InformationStructural formula
Name Prepacifenol
Formula C15H21Br2ClO2
Mw 425.95968342
CAS RN 41060-07-5
C_ID C00021632 ,
InChIKey YYDCCCDZFWJKIO-NSNCNFEJNA-N
InChICode InChI=1S/C15H21Br2ClO2/c1-12(2)8(16)5-11-14(4,20-11)15(12)6-9(17)13(3,18)7-10(15)19/h5,9-11,19H,6-7H2,1-4H3/t9-,10-,11+,13-,14+,15-/m0/s1
SMILES C1(=C[C@@H]2[C@@]([C@@]3(C1(C)C)C[C@@H]([C@@](C[C@@H]3O)(C)Cl)Br)(C)O2)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataPythiaceaePhytophthora nicotianae Ref.
--Laurencia filiformis Ref.
--Laurencia pacifica Ref.
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OrganismPhytophthora nicotianae
ReferenceCapasso,Phytochem.,50,(1999),703