15(R)-hydroperoxy-EPE

Properties Image MNX_ID MNXM734571 reference biggM:CE7091 formula C20H29O4 global charge -1 mol weight 333.448 InChIKey FPMFSFWYWZLDKP-LJQANCHMSA-M InChI InChI=1S/C20H30O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h3-5,8-11,13-14,17,19,23H,2,6-7,12,15-16,18H2,1H3,(H,21,22)/p-1/t19-/m1/s1 SMILES CCC=CC[C@H](C=CC=CCC=CCC=CCCCC(=O)[O-])OO MNX internals InChI (mnx) InChI=1/C20H30O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h3-5,8-11,13-14,17,19,23H,2,6-7,12,15-16,18H2,1H3,(H,21,22)/b5-4?,10-8?,11-9?,13-3?,17-14?/t19-/m1/s1 SMILES (mnx) [CH3:1][CH2:2][CH:3]=[CH:13][CH2:16][C@H:19]([CH:17]=[CH:14][CH:11]=[CH:9][CH2:7][CH:5]=[CH:4][CH2:6][CH:8]=[CH:10][CH2:12][CH2:15][CH2:18][C:20](=[O:21])[OH:22])[O:24][OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 7