dehypoxanthine futalosine

Properties Image MNX_ID MNXM3255 reference metacycM:CPD-10484 formula C14H15O7 global charge -1 mol weight 295.267 InChIKey XWPBBHHZDYSYMS-HKUMRIAESA-M InChI InChI=1S/C14H16O7/c15-9(7-2-1-3-8(6-7)13(18)19)4-5-10-11(16)12(17)14(20)21-10/h1-3,6,10-12,14,16-17,20H,4-5H2,(H,18,19)/p-1/t10-,11-,12-,14-/m1/s1 SMILES O=C([O-])C1=CC(C(=O)CC[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)=CC=C1 MNX internals InChI (mnx) InChI=1/C14H16O7/c15-9(7-2-1-3-8(6-7)13(18)19)4-5-10-11(16)12(17)14(20)21-10/h1-3,6,10-12,14,16-17,20H,4-5H2,(H,18,19)/t10-,11-,12-,14-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:7]([C:9]([CH2:4][CH2:5][C@@H:10]2[C@@H:11]([OH:16])[C@@H:12]([OH:17])[C@H:14]([OH:20])[O:21]2)=[O:15])=[CH:6][C:8]([C:13](=[O:18])[OH:19])=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 5