input word = C00046783

Metabolite InformationStructural formula
Name Isopinnatol B
(+)-Isopinnatol B
Formula C20H33BrO
Mw 368.17147857
CAS RN 288858-58-2
C_ID C00046783 ,
InChIKey OOTTXHPHVJPZLE-PSNHXOJNNA-N
InChICode InChI=1S/C20H33BrO/c1-7-19(5,22)12-10-15-14(2)8-9-16-18(3,4)17(21)11-13-20(15,16)6/h7,15-17,22H,1-2,8-13H2,3-6H3/t15-,16-,17-,19-,20-/m1/s1
SMILES C1(=C)CC[C@H]2[C@@]([C@@H]1CC[C@](C=C)(C)O)(CC[C@H](C2(C)C)Br)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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