input word = C00057957

Metabolite InformationStructural formula
Name Tripunicylglycerol
Formula C57H92O6
Mw 872.68939067
CAS RN 168252-51-5
C_ID C00057957
InChIKey SBOBXVGDOAOGKL-APDFJSHFSA-N
InChICode InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h13-30,54H,4-12,31-53H2,1-3H3/b16-13-,17-14-,18-15-,22-19+,23-20+,24-21+,28-25-,29-26-,30-27-
SMILES CCCC/C=CC=CC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=CC=CC=C/CCCC)OC(=O)CCCCCCC/C=CC=CC=C/CCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLythraceaePunica granatum Ref.
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