compound 0080843

Properties Image MNX_ID MNXM1182074 reference envipathM:...fdde3b6d5d2a formula C19H19NO5 global charge 0 mol weight 341.363 InChIKey TVIDTFUKZFOJHX-DEDYPNTBSA-N InChI InChI=1S/C19H19NO5/c1-13(18(23)19(24)14-7-3-2-4-8-14)20-25-12-15-9-5-6-10-16(15)17(22)11-21/h2-10,19,21,24H,11-12H2,1H3/b20-13+ SMILES C/C(=N\OCC1=C(C(=O)CO)C=CC=C1)C(=O)C(O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C19H19NO5/c1-13(18(23)19(24)14-7-3-2-4-8-14)20-25-12-15-9-5-6-10-16(15)17(22)11-21/h2-10,19,21,24H,11-12H2,1H3/b20-13+/t19? SMILES (mnx) [CH3:1]/[C:13]([C:18]([CH:19]([C:14]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)[OH:24])=[O:23])=[N:20]\[O:25][CH2:12][C:15]1=[CH:9][CH:5]=[CH:6][CH:10]=[C:16]1[C:17]([CH2:11][OH:21])=[O:22]

Parent-child relations graph

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