tetracenomycin B2

Properties Image MNX_ID MNXM12988 reference chebi:32199 formula C22H16O8 global charge 0 mol weight 408.362 InChIKey IPQJRJBZGLDTMW-UHFFFAOYSA-N InChI InChI=1S/C22H16O8/c1-8-15-9(5-13(23)16(8)22(28)30-3)4-11-18(20(15)26)21(27)17-12(19(11)25)6-10(29-2)7-14(17)24/h4-7,23-24,26H,1-3H3 SMILES COC(=O)C1=C(O)C=C2C=C3C(=O)C4=C(C(=O)C3=C(O)C2=C1C)C(O)=CC(OC)=C4 MNX internals InChI (mnx) InChI=1/C22H16O8/c1-8-15-9(5-13(23)16(8)22(28)30-3)4-11-18(20(15)26)21(27)17-12(19(11)25)6-10(29-2)7-14(17)24/h4-7,23-24,26H,1-3H3 SMILES (mnx) [CH3:1][C:8]1=[C:16]([C:22](=[O:28])[O:30][CH3:3])[C:13]([OH:23])=[CH:5][C:9]2=[CH:4][C:11]3=[C:18]([C:20]([OH:26])=[C:15]12)[C:21](=[O:27])[C:17]1=[C:14]([OH:24])[CH:7]=[C:10]([O:29][CH3:2])[CH:6]=[C:12]1[C:19]3=[O:25]

Parent-child relations graph

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