input word = C00000461

Metabolite InformationStructural formula
Name Kumausallene
Formula C15H20Br2O2
Mw 389.98300568
CAS RN 87980-56-1
C_ID C00000461 ,
InChIKey MALGKLBGBZTMPV-CWSXWHRFNA-N
InChICode InChI=1S/C15H20Br2O2/c1-2-3-4-7-12(17)13-10-15-14(19-13)9-11(18-15)6-5-8-16/h3-4,6,8,11-15H,2,7,9-10H2,1H3/b4-3+/t5?,11-,12+,13-,14-,15-/m1/s1
SMILES C(/C=C/C[C@@H]([C@@H]1O[C@H]2[C@@H](C1)O[C@@H](C2)C=C=CBr)Br)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia nipponica Ref.
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