3-O-beta-D-glucosyl-esculetin

Properties Image MNX_ID MNXM97662 reference metacycM:CPD-14455 formula C15H16O9 global charge 0 mol weight 340.284 InChIKey XLBKNDGYXFZZDS-ZHZXCYKASA-N InChI InChI=1S/C15H16O9/c16-5-10-11(18)12(19)13(20)15(24-10)23-9-3-6-1-2-7(17)4-8(6)22-14(9)21/h1-4,10-13,15-20H,5H2/t10-,11-,12+,13-,15-/m1/s1 SMILES O=C1OC2=C(C=CC(O)=C2)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C15H16O9/c16-5-10-11(18)12(19)13(20)15(24-10)23-9-3-6-1-2-7(17)4-8(6)22-14(9)21/h1-4,10-13,15-20H,5H2/t10-,11-,12+,13-,15-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:7]([OH:17])=[CH:4][C:8]2=[C:6]1[CH:3]=[C:9]([O:23][C@H:15]1[C@H:13]([OH:20])[C@@H:12]([OH:19])[C@H:11]([OH:18])[C@@H:10]([CH2:5][OH:16])[O:24]1)[C:14](=[O:21])[O:22]2

Parent-child relations graph

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