input word = C00056942

Metabolite InformationStructural formula
Name Regiapalmitate
Formula C53H104O2
Mw 772.80363256
CAS RN 1207847-83-3
C_ID C00056942
InChIKey NSVKGVAIRYIVMU-JEIPZWNWSA-N
InChICode InChI=1S/C53H104O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-55-53(54)51-49-47-45-43-41-39-16-14-12-10-8-6-4-2/h33-34H,3-32,35-52H2,1-2H3/b34-33+
SMILES CCCCCCCCCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeJuglandaceaeJuglans regia Ref.
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OrganismJuglans regia
ReferenceAkhtar, N. et al., J. Saudi Chem. Soc., 2009, 13, 111-118 (Regiapalmitate)