tetracenomycin E

Properties Image MNX_ID MNXM7796 reference chebi:32204 formula C22H16O8 global charge 0 mol weight 408.362 InChIKey UBGPMJPFKHUCCA-UHFFFAOYSA-N InChI InChI=1S/C22H16O8/c1-8-15-9(5-14(30-3)16(8)22(27)28)4-11-18(20(15)25)21(26)17-12(19(11)24)6-10(29-2)7-13(17)23/h4-7,23,25H,1-3H3,(H,27,28) SMILES COC1=CC2=C(C(=O)C3=C(O)C4=C(C)C(C(=O)O)=C(OC)C=C4C=C3C2=O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C22H16O8/c1-8-15-9(5-14(30-3)16(8)22(27)28)4-11-18(20(15)25)21(26)17-12(19(11)24)6-10(29-2)7-13(17)23/h4-7,23,25H,1-3H3,(H,27,28) SMILES (mnx) [CH3:1][C:8]1=[C:16]([C:22]([OH:27])=[O:28])[C:14]([O:30][CH3:3])=[CH:5][C:9]2=[CH:4][C:11]3=[C:18]([C:20]([OH:25])=[C:15]12)[C:21](=[O:26])[C:17]1=[C:13]([OH:23])[CH:7]=[C:10]([O:29][CH3:2])[CH:6]=[C:12]1[C:19]3=[O:24]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0