input word = C00012563

Metabolite InformationStructural formula
Name [2S-(2alpha,5beta,10S*)]-7-Bromo-2,3,4,5-tetrahydro-2-(iodomethyl)-5,8,10-trimethyl-2,5-methano-1-benzoxepin
Iodoether A
Formula C15H18BrIO
Mw 419.9585711
CAS RN 72030-67-2
C_ID C00012563 ,
InChIKey GSLUQYUFBYSYQN-WZEPNZGRNA-N
InChICode InChI=1S/C15H18BrIO/c1-9-6-13-11(7-12(9)16)14(3)4-5-15(8-17,18-13)10(14)2/h6-7,10H,4-5,8H2,1-3H3/t10-,14+,15+/m0/s1
SMILES Cc1cc2c(cc1Br)[C@]1(C)CCC(CI)(O2)[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia nana Ref.
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