input word = C00030409

Metabolite InformationStructural formula
Name 2,3-Dihydroxypropyl octadecanoate
Glycerol 1-stearate
Formula C21H42O4
Mw 358.30830983
CAS RN 123-94-4
C_ID C00030409 ,
InChIKey VBICKXHEKHSIBG-UHFFFAOYNA-N
InChICode InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3/t20-/m1/s1
SMILES [C@@H](O)(CO)COC(=O)CCCCCCCCCCCCCCCCC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDennstaedtiaceaePteridium aquilinum Ref.
PlantaeSolanaceaeSolanum tuberosum Ref.
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OrganismSolanum tuberosum
ReferenceHuang, W. et al., J. Agric. Food Chem., 65, (2017), 2258-2274.