compound 0283788

Properties Image MNX_ID MNXM1192415 reference envipathM:...26e463330d83 formula C17H21NO4 global charge 0 mol weight 303.358 InChIKey ZZBLUZJGDFGZTM-UHFFFAOYSA-N InChI InChI=1S/C17H21NO4/c1-22-13-5-2-9-8-11-10-3-4-12(19)16(21)17(10,6-7-18-11)14(9)15(13)20/h2-5,10-12,16,18-21H,6-8H2,1H3 SMILES COC1=CC=C2CC3NCCC4(C2=C1O)C(O)C(O)C=CC34 MNX internals InChI (mnx) InChI=1/C17H21NO4/c1-22-13-5-2-9-8-11-10-3-4-12(19)16(21)17(10,6-7-18-11)14(9)15(13)20/h2-5,10-12,16,18-21H,6-8H2,1H3/t10?,11?,12?,16?,17? SMILES (mnx) [CH3:1][O:22][C:13]1=[C:15]([OH:20])[C:14]2=[C:9]([CH:2]=[CH:5]1)[CH2:8][CH:11]1[CH:10]3[CH:3]=[CH:4][CH:12]([OH:19])[CH:16]([OH:21])[C:17]32[CH2:6][CH2:7][NH:18]1

Parent-child relations graph

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