neoagarobiose

Properties Image MNX_ID MNXM12441 reference metacycM:CPD-13433 formula C12H20O10 global charge 0 mol weight 324.282 InChIKey JWMBOBQNPBCYER-AHBMTURSSA-N InChI InChI=1S/C12H20O10/c13-1-3-5(14)10(7(16)11(18)20-3)22-12-8(17)9-6(15)4(21-12)2-19-9/h3-18H,1-2H2/t3-,4+,5+,6-,7-,8+,9-,10+,11-,12+/m1/s1 SMILES OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@@H]2O[C@H]3CO[C@@H]([C@@H]2O)[C@@H]3O)[C@H]1O MNX internals InChI (mnx) InChI=1/C12H20O10/c13-1-3-5(14)10(7(16)11(18)20-3)22-12-8(17)9-6(15)4(21-12)2-19-9/h3-18H,1-2H2/t3-,4+,5+,6-,7-,8+,9-,10+,11-,12+/m1/s1 SMILES (mnx) [CH2:1]([C@@H:3]1[C@H:5]([OH:14])[C@H:10]([O:22][C@H:12]2[C@@H:8]([OH:17])[C@H:9]3[C@H:6]([OH:15])[C@H:4]([CH2:2][O:19]3)[O:21]2)[C@@H:7]([OH:16])[C@H:11]([OH:18])[O:20]1)[OH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0