(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate

Properties Image MNX_ID MNXM3736 reference chebi:57413 formula C7H11O4 global charge -1 mol weight 159.161 InChIKey PTPROPUVXIZJPL-HCWXCVPCSA-M InChI InChI=1S/C7H12O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-6,8-9H,1-3H2,(H,10,11)/p-1/t4-,5-,6+/m0/s1 SMILES O=C([O-])[C@H]1CC[C@H](O)[C@H](O)C1 MNX internals InChI (mnx) InChI=1/C7H12O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-6,8-9H,1-3H2,(H,10,11)/t4-,5-,6+/m0/s1 SMILES (mnx) [CH2:1]1[CH2:2][C@H:5]([OH:8])[C@H:6]([OH:9])[CH2:3][C@H:4]1[C:7](=[O:10])[OH:11]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0