tetracenomycin D3

Properties Image MNX_ID MNXM4113 reference chebi:77990 formula C20H10O8 global charge -2 mol weight 378.292 InChIKey OXCNORDLEQIUCT-UHFFFAOYSA-L InChI InChI=1S/C20H12O8/c1-6-13-7(3-11(22)14(6)20(27)28)2-9-16(18(13)25)19(26)15-10(17(9)24)4-8(21)5-12(15)23/h2-5,21-23,25H,1H3,(H,27,28)/p-2 SMILES CC1=C2C(=CC(O)=C1C(=O)[O-])C=C1C(=O)C3=C(C(=O)C1=C2O)C(O)=CC([O-])=C3 MNX internals InChI (mnx) InChI=1/C20H12O8/c1-6-13-7(3-11(22)14(6)20(27)28)2-9-16(18(13)25)19(26)15-10(17(9)24)4-8(21)5-12(15)23/h2-5,21-23,25H,1H3,(H,27,28) SMILES (mnx) [CH3:1][C:6]1=[C:14]([C:20]([OH:27])=[O:28])[C:11]([OH:22])=[CH:3][C:7]2=[CH:2][C:9]3=[C:16]([C:18]([OH:25])=[C:13]12)[C:19](=[O:26])[C:15]1=[C:12]([OH:23])[CH:5]=[C:8]([OH:21])[CH:4]=[C:10]1[C:17]3=[O:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 8 in models (compartimentalized) 0