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 C=CC(C)(O)CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)[C@H](Br)CC[C@@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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