compound 0066711

Properties Image MNX_ID MNXM1175650 reference envipathM:...b049ade04ad7 formula C18H35NO4 global charge 0 mol weight 329.481 InChIKey VGJZQQSHTSPOFE-BUHFOSPRSA-N InChI InChI=1S/C18H35NO4/c19-18(23)12-8-4-3-7-11-17(22)14-13-16(21)10-6-2-1-5-9-15-20/h13-14,16-17,20-22H,1-12,15H2,(H2,19,23)/b14-13+ SMILES NC(=O)CCCCCCC(O)/C=C/C(O)CCCCCCCO MNX internals InChI (mnx) InChI=1/C18H35NO4/c19-18(23)12-8-4-3-7-11-17(22)14-13-16(21)10-6-2-1-5-9-15-20/h13-14,16-17,20-22H,1-12,15H2,(H2,19,23)/b14-13+/t16?,17? SMILES (mnx) [CH2:1]([CH2:2][CH2:6][CH2:10][CH:16](/[CH:13]=[CH:14]/[CH:17]([CH2:11][CH2:7][CH2:3][CH2:4][CH2:8][CH2:12][C:18](=[NH:19])[OH:23])[OH:22])[OH:21])[CH2:5][CH2:9][CH2:15][OH:20]

Parent-child relations graph

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