HMBOA beta-D-glucoside

Properties Image MNX_ID MNXM126522 reference chebi:134457 formula C15H19NO9 global charge 0 mol weight 357.315 InChIKey PMBZSEOAOIYRMW-XGHDNVSXSA-N InChI InChI=1S/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15?/m1/s1 SMILES COC1=CC2=C(C=C1)NC(=O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O2 MNX internals InChI (mnx) InChI=1/C15H19NO9/c1-22-6-2-3-7-8(4-6)23-15(13(21)16-7)25-14-12(20)11(19)10(18)9(5-17)24-14/h2-4,9-12,14-15,17-20H,5H2,1H3,(H,16,21)/t9-,10-,11+,12-,14+,15?/m1/s1 SMILES (mnx) [CH3:1][O:22][C:6]1=[CH:4][C:8]2=[C:7]([CH:3]=[CH:2]1)[N:16]=[C:13]([OH:21])[CH:15]([O:25][C@H:14]1[C@H:12]([OH:20])[C@@H:11]([OH:19])[C@H:10]([OH:18])[C@@H:9]([CH2:5][OH:17])[O:24]1)[O:23]2

Parent-child relations graph

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