rac-5,6-Epoxy-retinoyl-beta-D-glucuronide

Properties Image MNX_ID MNXM1102076 reference chebi:175800 formula C26H36O9 global charge 0 mol weight 492.565 InChIKey BZPOQLONXBJGAZ-XSHYMXFSSA-N InChI InChI=1S/C26H36O9/c1-15(10-13-26-24(3,4)11-7-12-25(26,5)35-26)8-6-9-16(2)14-17(27)33-23-20(30)18(28)19(29)21(34-23)22(31)32/h6,8-10,13-14,18-21,23,28-30H,7,11-12H2,1-5H3,(H,31,32)/b9-6+,13-10+,15-8+,16-14+/t18-,19+,20-,21-,23-,25-,26-/m1/s1 SMILES CC(/C=C/[C@]12O[C@]1(C)CCCC2(C)C)=C\C=C\C(C)=C\C(=O)O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C26H36O9/c1-15(10-13-26-24(3,4)11-7-12-25(26,5)35-26)8-6-9-16(2)14-17(27)33-23-20(30)18(28)19(29)21(34-23)22(31)32/h6,8-10,13-14,18-21,23,28-30H,7,11-12H2,1-5H3,(H,31,32)/b9-6+,13-10+,15-8+,16-14+/t18-,19+,20-,21-,23-,25-,26-/m1/s1 SMILES (mnx) [CH3:1][C:15](=[CH:8]\[CH:6]=[CH:9]\[C:16]([CH3:2])=[CH:14]\[C:17](=[O:27])[O:33][C@H:23]1[C@H:20]([OH:30])[C@H:18]([OH:28])[C@H:19]([OH:29])[C@H:21]([C:22](=[O:31])[OH:32])[O:34]1)/[CH:10]=[CH:13]/[C@@:26]12[C:24]([CH3:3])([CH3:4])[CH2:11][CH2:7][CH2:12][C@@:25]1([CH3:5])[O:35]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 1