compound 0182697

Properties Image MNX_ID MNXM1171671 reference envipathM:...478cb08bbce0 formula C13H21O6 global charge -1 mol weight 273.305 InChIKey WRXUIXIQZMKGLF-UHFFFAOYSA-M InChI InChI=1S/C13H22O6/c14-6-2-3-8(15)13-11(19-13)7-10-9(18-10)4-1-5-12(16)17/h8-11,13-15H,1-7H2,(H,16,17)/p-1 SMILES O=C([O-])CCCC1OC1CC1OC1C(O)CCCO MNX internals InChI (mnx) InChI=1/C13H22O6/c14-6-2-3-8(15)13-11(19-13)7-10-9(18-10)4-1-5-12(16)17/h8-11,13-15H,1-7H2,(H,16,17)/t8?,9?,10?,11?,13? SMILES (mnx) [CH2:1]([CH2:4][CH:9]1[CH:10]([CH2:7][CH:11]2[CH:13]([CH:8]([CH2:3][CH2:2][CH2:6][OH:14])[OH:15])[O:19]2)[O:18]1)[CH2:5][C:12](=[O:16])[OH:17]

Parent-child relations graph

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