compound 0216636

Properties Image MNX_ID MNXM1198281 reference envipathM:...7aefe8f96f58 formula C10H12O6 global charge -2 mol weight 228.2 InChIKey WBAZATUAJNKUIP-SNAWJCMRSA-L InChI InChI=1S/C10H14O6/c11-6-7(10(15)16)4-5-8(12)2-1-3-9(13)14/h4-5,7,11H,1-3,6H2,(H,13,14)(H,15,16)/p-2/b5-4+ SMILES O=C([O-])CCCC(=O)/C=C/C(CO)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H14O6/c11-6-7(10(15)16)4-5-8(12)2-1-3-9(13)14/h4-5,7,11H,1-3,6H2,(H,13,14)(H,15,16)/b5-4+/t7? SMILES (mnx) [CH2:1]([CH2:2][C:8](/[CH:5]=[CH:4]/[CH:7]([CH2:6][OH:11])[C:10](=[O:15])[OH:16])=[O:12])[CH2:3][C:9](=[O:13])[OH:14]

Parent-child relations graph

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