Urolithin A 3,8-O-diglucuronide

Properties Image MNX_ID MNXM145199 reference chebi:169473 formula C25H24O16 global charge 0 mol weight 580.451 InChIKey SXMJSEFKPOZNAT-ILJCXFEASA-N InChI InChI=1S/C25H24O16/c26-13-15(28)19(21(32)33)40-24(17(13)30)37-7-1-3-9-10-4-2-8(6-12(10)39-23(36)11(9)5-7)38-25-18(31)14(27)16(29)20(41-25)22(34)35/h1-6,13-20,24-31H,(H,32,33)(H,34,35)/t13-,14-,15-,16-,17+,18+,19-,20-,24+,25+/m0/s1 SMILES O=C1OC2=C(C=CC(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C2)C2=C1C=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C=C2 MNX internals InChI (mnx) InChI=1/C25H24O16/c26-13-15(28)19(21(32)33)40-24(17(13)30)37-7-1-3-9-10-4-2-8(6-12(10)39-23(36)11(9)5-7)38-25-18(31)14(27)16(29)20(41-25)22(34)35/h1-6,13-20,24-31H,(H,32,33)(H,34,35)/t13-,14-,15-,16-,17+,18+,19-,20-,24+,25+/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:9]2=[C:11]([CH:5]=[C:7]1[O:37][C@H:24]1[C@H:17]([OH:30])[C@@H:13]([OH:26])[C@H:15]([OH:28])[C@@H:19]([C:21](=[O:32])[OH:33])[O:40]1)[C:23](=[O:36])[O:39][C:12]1=[CH:6][C:8]([O:38][C@H:25]3[C@H:18]([OH:31])[C@@H:14]([OH:27])[C@H:16]([OH:29])[C@@H:20]([C:22](=[O:34])[OH:35])[O:41]3)=[CH:2][CH:4]=[C:10]21

Parent-child relations graph

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