Glucoliquiritin

Properties Image MNX_ID MNXM126135 reference chebi:191500 formula C27H32O14 global charge 0 mol weight 580.539 InChIKey UCUBMAVPVJYHIR-OVGRPOLTSA-N InChI InChI=1S/C27H32O14/c28-9-18-20(31)22(33)24(35)26(40-18)37-12-3-1-11(2-4-12)16-8-15(30)14-6-5-13(7-17(14)39-16)38-27-25(36)23(34)21(32)19(10-29)41-27/h1-7,16,18-29,31-36H,8-10H2/t16-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1 SMILES O=C1C[C@@H](C2=CC=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C2)OC2=C1C=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2 MNX internals InChI (mnx) InChI=1/C27H32O14/c28-9-18-20(31)22(33)24(35)26(40-18)37-12-3-1-11(2-4-12)16-8-15(30)14-6-5-13(7-17(14)39-16)38-27-25(36)23(34)21(32)19(10-29)41-27/h1-7,16,18-29,31-36H,8-10H2/t16-,18+,19+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:12]([O:37][C@H:26]2[C@H:24]([OH:35])[C@@H:22]([OH:33])[C@H:20]([OH:31])[C@@H:18]([CH2:9][OH:28])[O:40]2)=[CH:4][CH:2]=[C:11]1[C@@H:16]1[CH2:8][C:15](=[O:30])[C:14]2=[C:17]([CH:7]=[C:13]([O:38][C@H:27]3[C@H:25]([OH:36])[C@@H:23]([OH:34])[C@H:21]([OH:32])[C@@H:19]([CH2:10][OH:29])[O:41]3)[CH:5]=[CH:6]2)[O:39]1

Parent-child relations graph

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