desulfoglucotropeolin

Properties Image MNX_ID MNXM1368754 reference chebi:15911 formula C14H19NO6S global charge 0 mol weight 329.374 InChIKey QXWFHEDNDCNERW-LPUQOGTASA-N InChI InChI=1S/C14H19NO6S/c16-7-9-11(17)12(18)13(19)14(21-9)22-10(15-20)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-20H,6-7H2/t9-,11-,12+,13-,14+/m1/s1 SMILES OC[C@H]1O[C@@H](SC(CC2=CC=CC=C2)=NO)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C14H19NO6S/c16-7-9-11(17)12(18)13(19)14(21-9)22-10(15-20)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-20H,6-7H2/b15-10?/t9-,11-,12+,13-,14+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][C:10](=[N:15][OH:20])[S:22][C@H:14]2[C@H:13]([OH:19])[C@@H:12]([OH:18])[C@H:11]([OH:17])[C@@H:9]([CH2:7][OH:16])[O:21]2)[CH:5]=[CH:3]1

Parent-child relations graph

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