compound 0056835

Properties Image MNX_ID MNXM1177486 reference envipathM:...442ee4fa36df formula C9H13O5 global charge -1 mol weight 201.198 InChIKey OMEULZZWNRRBMN-UHFFFAOYSA-M InChI InChI=1S/C9H14O5/c10-5-9(4-8(13)14)2-6(11)1-7(12)3-9/h5-7,11-12H,1-4H2,(H,13,14)/p-1 SMILES O=CC1(CC(=O)[O-])CC(O)CC(O)C1 MNX internals InChI (mnx) InChI=1/C9H14O5/c10-5-9(4-8(13)14)2-6(11)1-7(12)3-9/h5-7,11-12H,1-4H2,(H,13,14)/t6?,7?,9? SMILES (mnx) [CH2:1]1[CH:6]([OH:11])[CH2:2][C:9]([CH2:4][C:8](=[O:13])[OH:14])([CH:5]=[O:10])[CH2:3][CH:7]1[OH:12]

Parent-child relations graph

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