tetracenomycin A2

Properties Image MNX_ID MNXM5942 reference chebi:32197 formula C23H18O8 global charge 0 mol weight 422.389 InChIKey BXLGPMDGOMEFBX-UHFFFAOYSA-N InChI InChI=1S/C23H18O8/c1-9-16-10(6-15(30-3)17(9)23(28)31-4)5-12-19(21(16)26)22(27)18-13(20(12)25)7-11(29-2)8-14(18)24/h5-8,24,26H,1-4H3 SMILES COC(=O)C1=C(OC)C=C2C=C3C(=O)C4=C(C(=O)C3=C(O)C2=C1C)C(O)=CC(OC)=C4 MNX internals InChI (mnx) InChI=1/C23H18O8/c1-9-16-10(6-15(30-3)17(9)23(28)31-4)5-12-19(21(16)26)22(27)18-13(20(12)25)7-11(29-2)8-14(18)24/h5-8,24,26H,1-4H3 SMILES (mnx) [CH3:1][C:9]1=[C:17]([C:23](=[O:28])[O:31][CH3:4])[C:15]([O:30][CH3:3])=[CH:6][C:10]2=[CH:5][C:12]3=[C:19]([C:21]([OH:26])=[C:16]12)[C:22](=[O:27])[C:18]1=[C:14]([OH:24])[CH:8]=[C:11]([O:29][CH3:2])[CH:7]=[C:13]1[C:20]3=[O:25]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 9 in models (compartimentalized) 0