Nervonoylacetone

Properties Image MNX_ID MNXM128664 reference chebi:172647 formula C27H50O2 global charge 0 mol weight 406.695 InChIKey JOPYJNRQQOWTHX-KHPPLWFESA-N InChI InChI=1S/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h10-11H,3-9,12-25H2,1-2H3/b11-10- SMILES CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)CC(C)=O MNX internals InChI (mnx) InChI=1/C27H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27(29)25-26(2)28/h10-11H,3-9,12-25H2,1-2H3/b11-10- SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:27]([CH2:25][C:26]([CH3:2])=[O:28])=[O:29]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0