methyl 10,12,13,16-bisepidioxy-9-hydroperoxy-14-octadecenoate

Properties Image MNX_ID MNXM24558 reference chebi:187238 formula C19H32O8 global charge 0 mol weight 388.457 InChIKey LWTWZXHNYOALAJ-UHFFFAOYSA-N InChI InChI=1S/C19H32O8/c1-3-14-11-12-16(25-24-14)18-13-17(26-27-18)15(23-21)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3 SMILES CCC1C=CC(C2CC(C(CCCCCCCC(=O)OC)OO)OO2)OO1 MNX internals InChI (mnx) InChI=1/C19H32O8/c1-3-14-11-12-16(25-24-14)18-13-17(26-27-18)15(23-21)9-7-5-4-6-8-10-19(20)22-2/h11-12,14-18,21H,3-10,13H2,1-2H3/t14?,15?,16?,17?,18? SMILES (mnx) [CH3:1][CH2:3][CH:14]1[CH:11]=[CH:12][CH:16]([CH:18]2[CH2:13][CH:17]([CH:15]([CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:10][C:19](=[O:20])[O:22][CH3:2])[O:23][OH:21])[O:26][O:27]2)[O:25][O:24]1

Parent-child relations graph

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