methyl 12,15-epdioxy-16-hydroperoxy-9,13-octadecadienoate

Properties Image MNX_ID MNXM24103 reference lipidmapsM:LMFA01040056 formula C19H32O6 global charge 0 mol weight 356.459 InChIKey NEFBFYIAKJRRAE-CSKARUKUSA-N InChI InChI=1S/C19H32O6/c1-3-17(23-21)18-15-14-16(24-25-18)12-10-8-6-4-5-7-9-11-13-19(20)22-2/h8,10,14-18,21H,3-7,9,11-13H2,1-2H3/b10-8+ SMILES CCC(OO)C1C=CC(C/C=C/CCCCCCCC(=O)OC)OO1 MNX internals InChI (mnx) InChI=1/C19H32O6/c1-3-17(23-21)18-15-14-16(24-25-18)12-10-8-6-4-5-7-9-11-13-19(20)22-2/h8,10,14-18,21H,3-7,9,11-13H2,1-2H3/b10-8+/t16?,17?,18? SMILES (mnx) [CH3:1][CH2:3][CH:17]([CH:18]1[CH:15]=[CH:14][CH:16]([CH2:12]/[CH:10]=[CH:8]/[CH2:6][CH2:4][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][C:19](=[O:20])[O:22][CH3:2])[O:24][O:25]1)[O:23][OH:21]

Parent-child relations graph

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