7,8-didemethyl-8-hydroxy-5-deazariboflavin

Properties Image MNX_ID MNXM1364188 reference chebi:59904 formula C16H16N3O7 global charge -1 mol weight 362.318 InChIKey YUTUUCYDXGWRNU-XQQFMLRXSA-M InChI InChI=1S/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20,22-24H,5-6H2,(H2,17,18,21,25,26)/p-1/t11-,12+,13-/m0/s1 SMILES O=C1N=C2C(=CC3=CC=C(O)C=C3N2C[C@H](O)[C@H](O)[C@H](O)CO)C(=O)[N-]1 MNX internals InChI (mnx) InChI=1/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20,22-24H,5-6H2,(H2,17,18,21,25,26)/t11-,12+,13-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][C:8](=[O:21])[CH:4]=[C:10]2[C:7]1=[CH:3][C:9]1=[C:14]([NH+:17]=[C:16]([OH:26])[N-:18][C:15]1=[O:25])[N:19]2[CH2:5][C@@H:11]([C@@H:13]([C@@H:12]([CH2:6][OH:20])[OH:23])[OH:24])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 3