compound 0078789

Properties Image MNX_ID MNXM1180387 reference envipathM:...90071c79c88b formula C14H20O13 global charge 0 mol weight 396.301 InChIKey ZCLDCSMDBKKBBM-UHFFFAOYSA-N InChI InChI=1S/C14H20O13/c15-2-5(17)1-14(25,11(22)6(18)3-16)13(24)26-4-7-8(19)9(20)10(21)12(23)27-7/h2-3,5-8,10,12-13,17-19,21,23-25H,1,4H2 SMILES O=CC(O)CC(O)(C(=O)C(O)C=O)C(O)OCC1OC(O)C(O)C(=O)C1O MNX internals InChI (mnx) InChI=1/C14H20O13/c15-2-5(17)1-14(25,11(22)6(18)3-16)13(24)26-4-7-8(19)9(20)10(21)12(23)27-7/h2-3,5-8,10,12-13,17-19,21,23-25H,1,4H2/t5?,6?,7?,8?,10?,12?,13?,14? SMILES (mnx) [CH2:1]([CH:5]([CH:2]=[O:15])[OH:17])[C:14]([C:11]([CH:6]([CH:3]=[O:16])[OH:18])=[O:22])([CH:13]([OH:24])[O:26][CH2:4][CH:7]1[CH:8]([OH:19])[C:9](=[O:20])[CH:10]([OH:21])[CH:12]([OH:23])[O:27]1)[OH:25]

Parent-child relations graph

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