(R)-3,4-dihydroxymandelonitrile beta-D-glucoside

Properties Image MNX_ID MNXM97659 reference metacycM:CPD-14593 formula C14H17NO8 global charge 0 mol weight 327.289 InChIKey GZROQPNGIUYLOP-GMDXDWKASA-N InChI InChI=1S/C14H17NO8/c15-4-9(6-1-2-7(17)8(18)3-6)22-14-13(21)12(20)11(19)10(5-16)23-14/h1-3,9-14,16-21H,5H2/t9-,10+,11+,12-,13+,14+/m0/s1 SMILES N#C[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC(O)=C(O)C=C1 MNX internals InChI (mnx) InChI=1/C14H17NO8/c15-4-9(6-1-2-7(17)8(18)3-6)22-14-13(21)12(20)11(19)10(5-16)23-14/h1-3,9-14,16-21H,5H2/t9-,10+,11+,12-,13+,14+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:7]([OH:17])=[C:8]([OH:18])[CH:3]=[C:6]1[C@H:9]([C:4]#[N:15])[O:22][C@H:14]1[C@H:13]([OH:21])[C@@H:12]([OH:20])[C@H:11]([OH:19])[C@@H:10]([CH2:5][OH:16])[O:23]1

Parent-child relations graph

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