4-O-beta-D-glucosyl-esculetin

Properties Image MNX_ID MNXM97667 reference metacycM:CPD-14454 formula C15H16O9 global charge 0 mol weight 340.284 InChIKey YZHPIOLSLRFTIM-TVKJYDDYSA-N InChI InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-11(18)22-8-3-6(17)1-2-7(8)9/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 SMILES O=C1C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2=CC=C(O)C=C2O1 MNX internals InChI (mnx) InChI=1/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-11(18)22-8-3-6(17)1-2-7(8)9/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:7]2=[C:8]([CH:3]=[C:6]1[OH:17])[O:22][C:11](=[O:18])[CH:4]=[C:9]2[O:23][C@H:15]1[C@H:14]([OH:21])[C@@H:13]([OH:20])[C@H:12]([OH:19])[C@@H:10]([CH2:5][OH:16])[O:24]1

Parent-child relations graph

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