input word = C00046594

Metabolite InformationStructural formula
Name 9-Acetylisoobtusol
(+)-9-Acetylisoobtusol
Formula C17H25Br2ClO2
Mw 453.99098355
CAS RN 73465-63-1
C_ID C00046594 ,
InChIKey LCTBUAFKAFMZQT-OFCRQSLRNA-N
InChICode InChI=1S/C17H25Br2ClO2/c1-10-8-12(22-11(2)21)14(18)15(3,4)17(10)7-6-16(5,19)13(20)9-17/h12-14H,1,6-9H2,2-5H3/t12-,13-,14-,16-,17+/m0/s1
SMILES [C@@H]1([C@H](CC(=C)[C@@]2(C1(C)C)CC[C@@]([C@H](C2)Cl)(Br)C)OC(=O)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia dactylomela Ref.
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