xanthommatin

Properties Image MNX_ID MNXM4132 reference metacycM:XANTHOMMATIN formula C20H11N3O8 global charge -2 mol weight 421.321 InChIKey QLAHWTNCEYYDRR-QMMMGPOBSA-L InChI InChI=1S/C20H13N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8H,4,21H2,(H,22,25)(H,27,28)(H,29,30)/p-2/t8-/m0/s1 SMILES [NH3+][C@@H](CC(=O)C1=CC=CC2=C1N=C1C(=CC(=O)C3=NC(C(=O)[O-])=CC([O-])=C31)O2)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H13N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8H,4,21H2,(H,22,25)(H,27,28)(H,29,30)/t8-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:7]([C:10]([CH2:4][C@@H:8]([C:19](=[O:27])[OH:28])[NH2:21])=[O:24])=[C:16]2[C:13](=[CH:3]1)[O:31][C:14]1=[CH:6][C:12](=[O:26])[C:17]3=[N:22][C:9]([C:20](=[O:29])[OH:30])=[CH:5][C:11]([OH:25])=[C:15]3[C:18]1=[N:23]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0