input word = C00012565

Metabolite InformationStructural formula
Name [2S-(2alpha,5alpha,10S*)]-2-(Dibromomethyl)-2,3,4,5-tetrahydro-5,8,10-trimethyl-2,5-methano-1-benzoxepin
Formula C15H18Br2O
Mw 371.972441
CAS RN 63001-94-5
C_ID C00012565 ,
InChIKey GTPKNDAYUXHRNR-UHFFFAOYNA-N
InChICode InChI=1S/C15H18Br2O/c1-9-4-5-11-12(8-9)18-15(13(16)17)7-6-14(11,3)10(15)2/h4-5,8,10,13H,6-7H2,1-3H3/t10-,14-,15+/m0/s1
SMILES c1cc(cc2c1[C@]1(CC[C@@](O2)([C@H]1C)C(Br)Br)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia glandulifera Ref.
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