compound 0229930

Properties Image MNX_ID MNXM1188620 reference envipathM:...6bea913411c2 formula C16H18N2O3 global charge 0 mol weight 286.331 InChIKey WDAYSTOGYOPZDC-UHFFFAOYSA-N InChI InChI=1S/C16H18N2O3/c1-8(19)16(21)11-7-18-15-14-9(4-5-17-15)2-3-10(13(11)14)6-12(16)20/h2-5,7,9-14,20-21H,6H2,1H3 SMILES CC(=O)C1(O)C(O)CC2C=CC3C=CN=C4N=CC1C2C43 MNX internals InChI (mnx) InChI=1/C16H18N2O3/c1-8(19)16(21)11-7-18-15-14-9(4-5-17-15)2-3-10(13(11)14)6-12(16)20/h2-5,7,9-14,20-21H,6H2,1H3/t9?,10?,11?,12?,13?,14?,16? SMILES (mnx) [CH3:1][C:8]([C:16]1([OH:21])[CH:11]2[CH:7]=[N:18][C:15]3=[N:17][CH:5]=[CH:4][CH:9]4[CH:2]=[CH:3][CH:10]([CH2:6][CH:12]1[OH:20])[CH:13]2[CH:14]43)=[O:19]

Parent-child relations graph

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