compound 0216857

Properties Image MNX_ID MNXM1198608 reference envipathM:...d397e70e1ea8 formula C10H15O7 global charge -1 mol weight 247.223 InChIKey QVUBMPMUNCQNGF-NSCUHMNNSA-M InChI InChI=1S/C10H16O7/c1-10(17,5-11)3-2-6(12)9(16)7(13)4-8(14)15/h2-3,6,9,11-12,16-17H,4-5H2,1H3,(H,14,15)/p-1/b3-2+ SMILES CC(O)(/C=C/C(O)C(O)C(=O)CC(=O)[O-])CO MNX internals InChI (mnx) InChI=1/C10H16O7/c1-10(17,5-11)3-2-6(12)9(16)7(13)4-8(14)15/h2-3,6,9,11-12,16-17H,4-5H2,1H3,(H,14,15)/b3-2+/t6?,9?,10? SMILES (mnx) [CH3:1][C:10](/[CH:3]=[CH:2]/[CH:6]([CH:9]([C:7]([CH2:4][C:8](=[O:14])[OH:15])=[O:13])[OH:16])[OH:12])([CH2:5][OH:11])[OH:17]

Parent-child relations graph

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