compound 0109533

Properties Image MNX_ID MNXM1194704 reference envipathM:...99598c542fe1 formula C11H15N2O8 global charge -1 mol weight 303.247 InChIKey DLFDEPURBUVKKI-UHFFFAOYSA-M InChI InChI=1S/C11H16N2O8/c14-3-1-11(21,7(6-16)9(18)10(19)20)13-8(17)5-12-2-4-15/h3,6-7,12,15,21H,1-2,4-5H2,(H,13,17)(H,19,20)/p-1 SMILES O=CCC(O)(/N=C(\O)CNCCO)C(C=O)C(=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H16N2O8/c14-3-1-11(21,7(6-16)9(18)10(19)20)13-8(17)5-12-2-4-15/h3,6-7,12,15,21H,1-2,4-5H2,(H,13,17)(H,19,20)/t7?,11? SMILES (mnx) [CH2:1]([CH:3]=[O:14])[C:11]([CH:7]([CH:6]=[O:16])[C:9]([C:10]([OH:19])=[O:20])=[O:18])([N:13]=[C:8]([CH2:5][NH:12][CH2:2][CH2:4][OH:15])[OH:17])[OH:21]

Parent-child relations graph

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