compound 0080421

Properties Image MNX_ID MNXM1173306 reference envipathM:...30bb1f951cf7 formula C21H22NO5 global charge -1 mol weight 368.409 InChIKey IVXIWXABIMEZDO-PXLXIMEGSA-M InChI InChI=1S/C21H23NO5/c1-15(12-20(23)16-8-4-3-5-9-16)22-27-13-17-10-6-7-11-18(17)19(14-26-2)21(24)25/h3-11,19H,12-14H2,1-2H3,(H,24,25)/p-1/b22-15+ SMILES COCC(C(=O)[O-])C1=C(CO/N=C(\C)CC(=O)C2=CC=CC=C2)C=CC=C1 MNX internals InChI (mnx) InChI=1/C21H23NO5/c1-15(12-20(23)16-8-4-3-5-9-16)22-27-13-17-10-6-7-11-18(17)19(14-26-2)21(24)25/h3-11,19H,12-14H2,1-2H3,(H,24,25)/b22-15+/t19? SMILES (mnx) [CH3:1]/[C:15]([CH2:12][C:20]([C:16]1=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]1)=[O:23])=[N:22]\[O:27][CH2:13][C:17]1=[CH:10][CH:6]=[CH:7][CH:11]=[C:18]1[CH:19]([CH2:14][O:26][CH3:2])[C:21](=[O:24])[OH:25]

Parent-child relations graph

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