input word = C00059461

Metabolite InformationStructural formula
Name (9Z,13E,15Z)-12-Hydroperoxy-9,13,15-octadecatrienoic acid
Formula C18H30O4
Mw 310.21440945
CAS RN 123372-21-4
C_ID C00059461
InChIKey FLJRXICXLUZYBE-YMVUBCEONA-N
InChICode InChI=1/C18H30O4/c1-2-3-4-11-14-17(22-21)15-12-9-7-5-6-8-10-13-16-18(19)20/h3-4,9,11-12,14,17,21H,2,5-8,10,13,15-16H2,1H3,(H,19,20)/b4-3-,12-9-,14-11+
SMILES CCC=CC=CC(CC=CCCCCCCCC(=O)O)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum tuberosum Ref.
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