compound 0229716

Properties Image MNX_ID MNXM1197029 reference envipathM:...68d9b35dec85 formula C17H21NO3 global charge 0 mol weight 287.359 InChIKey VGIJHSMQZWISRS-UHFFFAOYSA-N InChI InChI=1S/C17H21NO3/c1-12(20)16(11-19)17(21,18(2)3)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,16,20-21H,1-3H3 SMILES CC(O)C(C=O)C(O)(C1=CC2=C(C=CC=C2)C=C1)N(C)C MNX internals InChI (mnx) InChI=1/C17H21NO3/c1-12(20)16(11-19)17(21,18(2)3)15-9-8-13-6-4-5-7-14(13)10-15/h4-12,16,20-21H,1-3H3/t12?,16?,17? SMILES (mnx) [CH3:1][CH:12]([CH:16]([CH:11]=[O:19])[C:17]([C:15]1=[CH:10][C:14]2=[CH:7][CH:5]=[CH:4][CH:6]=[C:13]2[CH:8]=[CH:9]1)([N:18]([CH3:2])[CH3:3])[OH:21])[OH:20]

Parent-child relations graph

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