epsilon-rhodomycinone

Properties Image MNX_ID MNXM6478 reference chebi:75291 formula C22H20O9 global charge 0 mol weight 428.393 InChIKey PYFOXRACBORDCT-GOSXWKPOSA-N InChI InChI=1S/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3/t10-,16-,22+/m0/s1 SMILES CC[C@@]1(O)C[C@H](O)C2=C(C(O)=C3C(=O)C4=C(C(=O)C3=C2O)C(O)=CC=C4)[C@H]1C(=O)OC MNX internals InChI (mnx) InChI=1/C22H20O9/c1-3-22(30)7-10(24)12-13(16(22)21(29)31-2)20(28)14-15(19(12)27)18(26)11-8(17(14)25)5-4-6-9(11)23/h4-6,10,16,23-24,27-28,30H,3,7H2,1-2H3/t10-,16-,22+/m0/s1 SMILES (mnx) [CH3:1][CH2:3][C@@:22]1([OH:30])[CH2:7][C@H:10]([OH:24])[C:12]2=[C:19]([OH:27])[C:15]3=[C:14]([C:17](=[O:25])[C:8]4=[C:11]([C:9]([OH:23])=[CH:6][CH:4]=[CH:5]4)[C:18]3=[O:26])[C:20]([OH:28])=[C:13]2[C@H:16]1[C:21](=[O:29])[O:31][CH3:2]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 7 in models (compartimentalized) 0