tetracenomycin D3 methyl ester

Properties Image MNX_ID MNXM12990 reference chebi:32203 formula C21H14O8 global charge 0 mol weight 394.335 InChIKey RQYUIUSZANHVJK-UHFFFAOYSA-N InChI InChI=1S/C21H14O8/c1-7-14-8(4-12(23)15(7)21(28)29-2)3-10-17(19(14)26)20(27)16-11(18(10)25)5-9(22)6-13(16)24/h3-6,22-24,26H,1-2H3 SMILES COC(=O)C1=C(O)C=C2C=C3C(=O)C4=C(C(=O)C3=C(O)C2=C1C)C(O)=CC(O)=C4 MNX internals InChI (mnx) InChI=1/C21H14O8/c1-7-14-8(4-12(23)15(7)21(28)29-2)3-10-17(19(14)26)20(27)16-11(18(10)25)5-9(22)6-13(16)24/h3-6,22-24,26H,1-2H3 SMILES (mnx) [CH3:1][C:7]1=[C:15]([C:21](=[O:28])[O:29][CH3:2])[C:12]([OH:23])=[CH:4][C:8]2=[CH:3][C:10]3=[C:17]([C:19]([OH:26])=[C:14]12)[C:20](=[O:27])[C:16]1=[C:13]([OH:24])[CH:6]=[C:9]([OH:22])[CH:5]=[C:11]1[C:18]3=[O:25]

Parent-child relations graph

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