3-Methoxytyramine-betaxanthin

Properties Image MNX_ID MNXM10820 reference chebi:81319 formula C18H20N2O6 global charge 0 mol weight 360.366 InChIKey SBHOSQZNRDXQAX-WSESCXGKSA-N InChI InChI=1S/C18H20N2O6/c1-26-16-10-11(2-3-15(16)21)4-6-19-7-5-12-8-13(17(22)23)20-14(9-12)18(24)25/h2-3,5,7-8,10,14,20-21H,4,6,9H2,1H3,(H,22,23)(H,24,25)/b12-5-,19-7-/t14-/m0/s1 SMILES COC1=C(O)C=CC(CC/N=C\C=C2\C=C(C(=O)O)N[C@H](C(=O)O)C2)=C1 MNX internals InChI (mnx) InChI=1/C18H20N2O6/c1-26-16-10-11(2-3-15(16)21)4-6-19-7-5-12-8-13(17(22)23)20-14(9-12)18(24)25/h2-3,5,7-8,10,14,20-21H,4,6,9H2,1H3,(H,22,23)(H,24,25)/b12-5-,19-7-/t14-/m0/s1 SMILES (mnx) [CH3:1][O:26][C:16]1=[C:15]([OH:21])[CH:3]=[CH:2][C:11]([CH2:4][CH2:6]/[N:19]=[CH:7]\[CH:5]=[C:12]2\[CH:8]=[C:13]([C:17](=[O:22])[OH:23])[NH:20][C@H:14]([C:18](=[O:24])[OH:25])[CH2:9]2)=[CH:10]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0