input word = C00022175

Metabolite InformationStructural formula
Name 1-Bromo-8-ketoambliol A
Formula C22H31BrO4
Mw 438.14057238
CAS RN 91178-22-2
C_ID C00022175 ,
InChIKey IZLCQKRXVCLETG-BMYSTAIXNA-N
InChICode InChI=1S/C22H31BrO4/c1-15(8-6-9-17-12-20(23)26-14-17)18(25)13-19-21(3,4)10-7-11-22(19,5)27-16(2)24/h8,12,14,19H,6-7,9-11,13H2,1-5H3/b15-8+/t19-,22-/m1/s1
SMILES c1(cc(co1)CC/C=C(/C(=O)C[C@@H]1C(CCC[C@]1(OC(=O)C)C)(C)C)\C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Dysidea sp. Ref.
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