anthramycin

Properties Image MNX_ID MNXM42225 reference chebi:40699 formula C16H17N3O4 global charge 0 mol weight 315.329 InChIKey VGQOVCHZGQWAOI-YQRHFANHSA-N InChI InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15+/m0/s1 SMILES CC1=C(O)C2=C(C=C1)C(=O)N1C=C(/C=C/C(N)=O)C[C@H]1[C@@H](O)N2 MNX internals InChI (mnx) InChI=1/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15+/m0/s1 SMILES (mnx) [CH3:1][C:8]1=[C:14]([OH:21])[C:13]2=[C:10]([CH:4]=[CH:2]1)[C:16](=[O:23])[N:19]1[CH:7]=[C:9](/[CH:3]=[CH:5]/[C:12](=[NH:17])[OH:20])[CH2:6][C@H:11]1[C@@H:15]([OH:22])[NH:18]2

Parent-child relations graph

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