Lithol Rubine

Properties Image MNX_ID MNXM127397 reference hmdb:HMDB0041567 formula C18H14N2O6S global charge 0 mol weight 386.385 InChIKey JYNBEDVXQNFTOX-FMQUCBEESA-N InChI InChI=1S/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)/b20-19+ SMILES CC1=CC(S(=O)(=O)O)=C(/N=N/C2=C(O)C(C(=O)O)=CC3=CC=CC=C32)C=C1 MNX internals InChI (mnx) InChI=1/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)/b20-19+ SMILES (mnx) [CH3:1][C:10]1=[CH:8][C:15]([S:27]([OH:24])(=[O:25])=[O:26])=[C:14](/[N:19]=[N:20]/[C:16]2=[C:17]([OH:21])[C:13]([C:18](=[O:22])[OH:23])=[CH:9][C:11]3=[CH:4][CH:2]=[CH:3][CH:5]=[C:12]32)[CH:7]=[CH:6]1

Parent-child relations graph

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