melibionic acid

Properties Image MNX_ID MNXM61339 reference chebi:75299 formula C12H22O12 global charge 0 mol weight 358.296 InChIKey MUUBPEHTAPZMCA-RQPDCMAESA-N InChI InChI=1S/C12H22O12/c13-1-4-6(16)8(18)10(20)12(24-4)23-2-3(14)5(15)7(17)9(19)11(21)22/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7+,8+,9-,10-,12+/m1/s1 SMILES O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C12H22O12/c13-1-4-6(16)8(18)10(20)12(24-4)23-2-3(14)5(15)7(17)9(19)11(21)22/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7+,8+,9-,10-,12+/m1/s1 SMILES (mnx) [CH2:1]([C@@H:4]1[C@H:6]([OH:16])[C@H:8]([OH:18])[C@@H:10]([OH:20])[C@@H:12]([O:23][CH2:2][C@H:3]([C@H:5]([C@@H:7]([C@H:9]([C:11](=[O:21])[OH:22])[OH:19])[OH:17])[OH:15])[OH:14])[O:24]1)[OH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0