input word = C00057229

Metabolite InformationStructural formula
Name 12-Oxo PEA
Formula C18H30O3
Mw 294.21949482
CAS RN 204135-83-1
C_ID C00057229
InChIKey DYAIBFMALFTKBR-HOTGVXAUSA-N
InChICode InChI=1S/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h13-16H,2-12H2,1H3,(H,20,21)/t15-,16-/m0/s1
SMILES CCCCC[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelianthus annuus Ref.
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OrganismHelianthus annuus
ReferenceVick, B.A. et al., Lipids, 1979, 14, 734 (synth, ir, pmr, ms)