diazepinomicin

Properties Image MNX_ID MNXM149027 reference chebi:156321 formula C28H34N2O4 global charge 0 mol weight 462.59 InChIKey SALVHVNECODMJP-GNUCVDFRSA-N InChI InChI=1S/C28H34N2O4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-30-23-16-21(31)17-25(33)27(23)29-26-22(28(30)34)12-7-13-24(26)32/h7-8,10,12-14,16-17,29,31-33H,5-6,9,11,15H2,1-4H3/b19-10+,20-14+ SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/CN1C(=O)C2=C(NC3=C1C=C(O)C=C3O)C(O)=CC=C2 MNX internals InChI (mnx) InChI=1/C28H34N2O4/c1-18(2)8-5-9-19(3)10-6-11-20(4)14-15-30-23-16-21(31)17-25(33)27(23)29-26-22(28(30)34)12-7-13-24(26)32/h7-8,10,12-14,16-17,29,31-33H,5-6,9,11,15H2,1-4H3/b19-10+,20-14+ SMILES (mnx) [CH3:1][C:18]([CH3:2])=[CH:8][CH2:5][CH2:9]/[C:19]([CH3:3])=[CH:10]/[CH2:6][CH2:11]/[C:20]([CH3:4])=[CH:14]/[CH2:15][N:30]1[C:23]2=[C:27]([C:25]([OH:33])=[CH:17][C:21]([OH:31])=[CH:16]2)[NH:29][C:26]2=[C:22]([CH:12]=[CH:7][CH:13]=[C:24]2[OH:32])[C:28]1=[O:34]

Parent-child relations graph

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