compound 0229001

Properties Image MNX_ID MNXM1170967 reference envipathM:...428f94e36a12 formula C10H13NO8 global charge -2 mol weight 275.213 InChIKey IAXUVCIUYYNFKM-UHFFFAOYSA-L InChI InChI=1S/C10H15NO8/c12-2-1-5-4-11-9(18,3-6(13)14)10(5,19)7(15)8(16)17/h2,5,7,11,15,18-19H,1,3-4H2,(H,13,14)(H,16,17)/p-2 SMILES O=CCC1CNC(O)(CC(=O)[O-])C1(O)C(O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C10H15NO8/c12-2-1-5-4-11-9(18,3-6(13)14)10(5,19)7(15)8(16)17/h2,5,7,11,15,18-19H,1,3-4H2,(H,13,14)(H,16,17)/t5?,7?,9?,10? SMILES (mnx) [CH2:1]([CH:2]=[O:12])[CH:5]1[CH2:4][NH:11][C:9]([CH2:3][C:6](=[O:13])[OH:14])([OH:18])[C:10]1([CH:7]([C:8](=[O:16])[OH:17])[OH:15])[OH:19]

Parent-child relations graph

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