Sphalleroside A

Properties Image MNX_ID MNXM130823 reference chebi:175338 formula C16H22O8 global charge 0 mol weight 342.344 InChIKey PCHIAQZAMZOONE-XYFZXANASA-N InChI InChI=1S/C16H22O8/c1-3-4-8-5-9(18)15(22-2)10(6-8)23-16-14(21)13(20)12(19)11(7-17)24-16/h3,5-6,11-14,16-21H,1,4,7H2,2H3/t11-,12-,13+,14-,16-/m1/s1 SMILES C=CCC1=CC(O)=C(OC)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 MNX internals InChI (mnx) InChI=1/C16H22O8/c1-3-4-8-5-9(18)15(22-2)10(6-8)23-16-14(21)13(20)12(19)11(7-17)24-16/h3,5-6,11-14,16-21H,1,4,7H2,2H3/t11-,12-,13+,14-,16-/m1/s1 SMILES (mnx) [CH2:1]=[CH:3][CH2:4][C:8]1=[CH:5][C:9]([OH:18])=[C:15]([O:22][CH3:2])[C:10]([O:23][C@H:16]2[C@H:14]([OH:21])[C@@H:13]([OH:20])[C@H:12]([OH:19])[C@@H:11]([CH2:7][OH:17])[O:24]2)=[CH:6]1

Parent-child relations graph

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