(R,R,R)-avenic acid A

Properties Image MNX_ID MNXM31693 reference chebi:38153 formula C12H22N2O8 global charge 0 mol weight 322.314 InChIKey QUKMQOBHQMWLLR-IWSPIJDZSA-N InChI InChI=1S/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)/t7-,8-,9-/m1/s1 SMILES O=C(O)[C@H](O)CCN[C@H](CCN[C@H](CCO)C(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)/t7-,8-,9-/m1/s1 SMILES (mnx) [CH2:1]([CH2:4][NH:13][C@H:8]([CH2:3][CH2:6][OH:15])[C:11](=[O:19])[OH:20])[C@H:7]([C:10](=[O:17])[OH:18])[NH:14][CH2:5][CH2:2][C@H:9]([C:12](=[O:21])[OH:22])[OH:16]

Parent-child relations graph

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