input word = C00000480

Metabolite InformationStructural formula
Name Obtusallene
Obtusallene I
Formula C15H17Br2ClO2
Mw 421.9283833
CAS RN 81920-18-5
C_ID C00000480 ,
InChIKey GTAXFXIOLOZIPX-PWQUGUCSNA-N
InChICode InChI=1S/C15H17Br2ClO2/c1-10-15-14(17)7-6-13(20-15)9-11(18)4-5-12(19-10)3-2-8-16/h3-6,8,10-12,14-15H,7,9H2,1H3/b5-4+/t2-,10+,11+,12-,14+,15+/m1/s1
SMILES C1=C2O[C@H]([C@H](C1)Br)[C@@H](O[C@@H](/C=C/[C@@H](C2)Cl)C=C=CBr)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Laurencia obtusa Ref.
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OrganismLaurencia obtusa
ReferenceCox,Tetrahedron Lett,23,(1982),579