input word = C00021595

Metabolite InformationStructural formula
Name 3,11-Diacetoxy-2-bromo-beta-chamigrene
Formula C19H27BrO4
Mw 398.10927225
CAS RN 126005-80-9
C_ID C00021595 ,
InChIKey UFKFDTHMWZFEOE-RJXNWJCNNA-N
InChICode InChI=1S/C19H27BrO4/c1-11-7-8-19(16(9-11)24-14(4)22)12(2)10-15(23-13(3)21)17(20)18(19,5)6/h7,15-17H,2,8-10H2,1,3-6H3/t15-,16+,17-,19+/m0/s1
SMILES C1([C@H]([C@H](CC(=C)[C@@]21[C@@H](CC(=CC2)C)OC(=O)C)OC(=O)C)Br)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia obtusa Ref.
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