6-(9'-Purine-6',8'-diolyl)-2beta-suberosanone

Properties Image MNX_ID MNXM102086 reference chebi:66791 formula C20H26N4O3 global charge 0 mol weight 370.453 InChIKey BHCRQXWMNOFEEK-OWPPUKJFSA-N InChI InChI=1S/C20H26N4O3/c1-10-4-5-11-12-6-14(25)13(20(10,12)8-19(11,2)3)7-24-16-15(23-18(24)27)17(26)22-9-21-16/h9-13H,4-8H2,1-3H3,(H,23,27)(H,21,22,26)/t10-,11-,12+,13-,20-/m0/s1 SMILES C[C@H]1CC[C@H]2[C@H]3CC(=O)[C@H](CN4C(O)=NC5=C4N=CN=C5O)[C@]31CC2(C)C MNX internals InChI (mnx) InChI=1/C20H26N4O3/c1-10-4-5-11-12-6-14(25)13(20(10,12)8-19(11,2)3)7-24-16-15(23-18(24)27)17(26)22-9-21-16/h9-13H,4-8H2,1-3H3,(H,23,27)(H,21,22,26)/t10-,11-,12+,13-,20-/m0/s1 SMILES (mnx) [CH3:1][C@H:10]1[CH2:4][CH2:5][C@H:11]2[C@H:12]3[CH2:6][C:14](=[O:25])[C@H:13]([CH2:7][N:24]4[C:16]5=[C:15]([C:17]([OH:26])=[N:22][CH:9]=[N:21]5)[N:23]=[C:18]4[OH:27])[C@@:20]13[CH2:8][C:19]2([CH3:2])[CH3:3]

Parent-child relations graph

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