input word = C00051229

Metabolite InformationStructural formula
Name Lembyne A
Formula C15H16BrClO2
Mw 342.00222037
CAS RN 380893-27-6
C_ID C00051229
InChIKey AYFFHUILZXJDLN-LLHORGFINA-N
InChICode InChI=1S/C15H16BrClO2/c1-3-5-6-9(17)12-10-7-11-15(18-10)13(12)14(19-11)8(16)4-2/h1,5-6,9-13,15H,4,7H2,2H3/b6-5-,14-8-/t9-,10+,11+,12-,13+,15-/m0/s1
SMILES C#C/C=C[C@H](Cl)[C@@H]1C2/C(=C(/Br)CC)OC3C[C@H]1O[C@@H]32
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia sp. Ref.
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