methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate

Properties Image MNX_ID MNXM23014 reference chebi:178474 formula C21H34O8 global charge 0 mol weight 414.495 InChIKey AWZPWRYFAAHRSV-NABOWOGOSA-N InChI InChI=1S/C21H34O8/c1-3-4-7-11-17(26-23)12-8-5-6-9-13-18-16-20(29-28-18)19(27-24)14-10-15-21(22)25-2/h5-6,8-9,12-13,17-20,23-24H,3-4,7,10-11,14-16H2,1-2H3/b6-5+,12-8+,13-9+ SMILES CCCCCC(/C=C/C=C/C=C/C1CC(C(CCCC(=O)OC)OO)OO1)OO MNX internals InChI (mnx) InChI=1/C21H34O8/c1-3-4-7-11-17(26-23)12-8-5-6-9-13-18-16-20(29-28-18)19(27-24)14-10-15-21(22)25-2/h5-6,8-9,12-13,17-20,23-24H,3-4,7,10-11,14-16H2,1-2H3/b6-5+,12-8+,13-9+/t17?,18?,19?,20? SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:7][CH2:11][CH:17](/[CH:12]=[CH:8]/[CH:5]=[CH:6]/[CH:9]=[CH:13]/[CH:18]1[CH2:16][CH:20]([CH:19]([CH2:14][CH2:10][CH2:15][C:21](=[O:22])[O:25][CH3:2])[O:27][OH:24])[O:29][O:28]1)[O:26][OH:23]

Parent-child relations graph

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