In-Silico Structure Database (LMISSD)
Common Name
FAHFA 13:0/12O(FA 18:0)
Systematic Name
12-O-tridecanoyl-12-hydroxyoctadecanoic acid
LM ID
LMFA0709A006
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
496.449160
Formula
Main
Classification
Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty esters [FA07]
Fatty acid estolides [FA0709]
String Representations
InChiKey (Click to copy)
HQVBQYITUNUEBV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C31H60O4/c1-3-5-7-9-10-11-12-17-20-24-28-31(34)35-29(25-21-8-6-4-2)26-22-18-15-13-14-16-19-23-27-30(32)33/h29H,3-28H2,1-2H3,(H,32,33)
SMILES (Click to copy)
CCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)O