13,14-epoxy-retinol

Properties Image MNX_ID MNXM164058 reference biggM:CE5932 formula C20H30O2 global charge 0 mol weight 302.458 InChIKey HQOAEUUDHIWDFP-BUJXIGDUSA-N InChI InChI=1S/C20H30O2/c1-15(8-6-13-20(5)18(14-21)22-20)10-11-17-16(2)9-7-12-19(17,3)4/h6,8,10-11,13,18,21H,7,9,12,14H2,1-5H3/b11-10+,13-6+,15-8? SMILES CC(=C/C=C/C1(C)OC1CO)/C=C/C1=C(C)CCCC1(C)C MNX internals InChI (mnx) InChI=1/C20H30O2/c1-15(8-6-13-20(5)18(14-21)22-20)10-11-17-16(2)9-7-12-19(17,3)4/h6,8,10-11,13,18,21H,7,9,12,14H2,1-5H3/b11-10+,13-6+,15-8-/t18?,20? SMILES (mnx) [CH3:1][C:15](=[CH:8]/[CH:6]=[CH:13]/[C:20]1([CH3:5])[CH:18]([CH2:14][OH:21])[O:22]1)/[CH:10]=[CH:11]/[C:17]1=[C:16]([CH3:2])[CH2:9][CH2:7][CH2:12][C:19]1([CH3:3])[CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2