tetracenomycin F1 methyl ester

Properties Image MNX_ID MNXM12991 reference chebi:32206 formula C21H16O7 global charge 0 mol weight 380.352 InChIKey FHUWFKLKKCQTOL-UHFFFAOYSA-N InChI InChI=1S/C21H16O7/c1-8-15-11(6-13(23)16(8)21(27)28-2)4-9-3-10-5-12(22)7-14(24)17(10)20(26)18(9)19(15)25/h4-7,22-25H,3H2,1-2H3 SMILES COC(=O)C1=C(O)C=C2C=C3CC4=C(C(=O)C3=C(O)C2=C1C)C(O)=CC(O)=C4 MNX internals InChI (mnx) InChI=1/C21H16O7/c1-8-15-11(6-13(23)16(8)21(27)28-2)4-9-3-10-5-12(22)7-14(24)17(10)20(26)18(9)19(15)25/h4-7,22-25H,3H2,1-2H3 SMILES (mnx) [CH3:1][C:8]1=[C:16]([C:21](=[O:27])[O:28][CH3:2])[C:13]([OH:23])=[CH:6][C:11]2=[CH:4][C:9]3=[C:18]([C:19]([OH:25])=[C:15]12)[C:20](=[O:26])[C:17]1=[C:14]([OH:24])[CH:7]=[C:12]([OH:22])[CH:5]=[C:10]1[CH2:3]3

Parent-child relations graph

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