Neoisoliquiritin

Properties Image MNX_ID MNXM18760 reference chebi:191686 formula C21H22O9 global charge 0 mol weight 418.398 InChIKey XQWFHGOIUZFQPJ-LXGDFETPSA-N InChI InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1 SMILES O=C(/C=C/C1=CC=C(O)C=C1)C1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2/b8-3+/t17-,18-,19+,20-,21-/m1/s1 SMILES (mnx) [CH:1]1=[CH:4][C:12]([OH:23])=[CH:5][CH:2]=[C:11]1/[CH:3]=[CH:8]/[C:15]([C:14]1=[C:16]([OH:25])[CH:9]=[C:13]([O:29][C@H:21]2[C@H:20]([OH:28])[C@@H:19]([OH:27])[C@H:18]([OH:26])[C@@H:17]([CH2:10][OH:22])[O:30]2)[CH:6]=[CH:7]1)=[O:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0