input word = C00000389

Metabolite InformationStructural formula
Name 13S-Hydroperoxy-9Z,11E,15Z-octadecatrienoic acid
Formula C18H30O4
Mw 310.21440945
CAS RN 161169-53-5
C_ID C00000389 ,
InChIKey UYQGVDXDXBAABN-UDKKAICSNA-N
InChICode InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)/b9-7+,11-3-,15-12-/t17-/m0/s1
SMILES C(=C\C[C@@H](/C=C\C=C\CCCCCCCC(=O)O)OO)\CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
--Lyngbya majuscula Ref.
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OrganismLyngbya majuscula
ReferenceCardellina,Tetrahedron,36,(1980),993