C.I. Food Brown 3

Properties Image MNX_ID MNXM119980 reference hmdb:HMDB0037512 formula C27H20N4O9S2 global charge 0 mol weight 608.61 InChIKey ZMJZWRQKSFYRJU-FUEWEDNTSA-N InChI InChI=1S/C27H20N4O9S2/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40)/b30-28+,31-29+ SMILES O=S(=O)(O)C1=CC=C(/N=N/C2=C(O)C(/N=N/C3=CC=C(S(=O)(=O)O)C4=CC=CC=C34)=C(O)C(CO)=C2)C2=CC=CC=C21 MNX internals InChI (mnx) InChI=1/C27H20N4O9S2/c32-14-15-13-22(30-28-20-9-11-23(41(35,36)37)18-7-3-1-5-16(18)20)27(34)25(26(15)33)31-29-21-10-12-24(42(38,39)40)19-8-4-2-6-17(19)21/h1-13,32-34H,14H2,(H,35,36,37)(H,38,39,40)/b30-28+,31-29+ SMILES (mnx) [CH:1]1=[CH:3][CH:7]=[C:18]2[C:16](=[CH:5]1)[C:20](/[N:28]=[N:30]/[C:22]1=[C:27]([OH:34])[C:25](/[N:31]=[N:29]/[C:21]3=[CH:10][CH:12]=[C:24]([S:42]([OH:38])(=[O:39])=[O:40])[C:19]4=[CH:8][CH:4]=[CH:2][CH:6]=[C:17]43)=[C:26]([OH:33])[C:15]([CH2:14][OH:32])=[CH:13]1)=[CH:9][CH:11]=[C:23]2[S:41]([OH:35])(=[O:36])=[O:37]

Parent-child relations graph

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