compound 0080267

Properties Image MNX_ID MNXM1180685 reference envipathM:...91ef7900ace0 formula C20H20NO4 global charge -1 mol weight 338.383 InChIKey VLMNQVNNZXEERP-ZIKJKZHMSA-M InChI InChI=1S/C20H21NO4/c1-15(11-12-16-7-3-2-4-8-16)21-25-14-17-9-5-6-10-18(17)19(13-22)20(23)24/h2-12,19,22H,13-14H2,1H3,(H,23,24)/p-1/b12-11+,21-15+ SMILES CC(/C=C/C1=CC=CC=C1)=N\OCC1=C(C(CO)C(=O)[O-])C=CC=C1 MNX internals InChI (mnx) InChI=1/C20H21NO4/c1-15(11-12-16-7-3-2-4-8-16)21-25-14-17-9-5-6-10-18(17)19(13-22)20(23)24/h2-12,19,22H,13-14H2,1H3,(H,23,24)/b12-11+,21-15+/t19? SMILES (mnx) [CH3:1][C:15](/[CH:11]=[CH:12]/[C:16]1=[CH:7][CH:3]=[CH:2][CH:4]=[CH:8]1)=[N:21]\[O:25][CH2:14][C:17]1=[CH:9][CH:5]=[CH:6][CH:10]=[C:18]1[CH:19]([CH2:13][OH:22])[C:20](=[O:23])[OH:24]

Parent-child relations graph

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