miraxanthin V

Properties Image MNX_ID MNXM12268 reference metacycM:CPD-8659 formula C17H16N2O6 global charge -2 mol weight 344.323 InChIKey PDKFHZWVCCZUIF-WPJLFRKISA-L InChI InChI=1S/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/p-2/b11-4-,18-6-/t13-/m0/s1 SMILES O=C([O-])C1=C/C(=C/C=N\CCC2=CC=C(O)C(O)=C2)C[C@@H](C(=O)[O-])N1 MNX internals InChI (mnx) InChI=1/C17H18N2O6/c20-14-2-1-10(9-15(14)21)3-5-18-6-4-11-7-12(16(22)23)19-13(8-11)17(24)25/h1-2,4,6-7,9,13,19-21H,3,5,8H2,(H,22,23)(H,24,25)/b11-4-,18-6-/t13-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:14]([OH:20])=[C:15]([OH:21])[CH:9]=[C:10]1[CH2:3][CH2:5]/[N:18]=[CH:6]\[CH:4]=[C:11]1\[CH:7]=[C:12]([C:16](=[O:22])[OH:23])[NH:19][C@H:13]([C:17](=[O:24])[OH:25])[CH2:8]1

Parent-child relations graph

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