meclocycline

Properties Image MNX_ID MNXM1510841 reference hmdb:HMDB0254395 formula C22H21ClN2O8 global charge 0 mol weight 476.869 InChIKey RNIADBXQDMCFEN-UHFFFAOYSA-N InChI InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26-28,31,33H,1H2,2-3H3,(H2,24,32) SMILES C=C1C2=C(Cl)C=CC(O)=C2C(O)=C2C(=O)C3(O)C(O)=C(C(N)=O)C(=O)C(N(C)C)C3C(O)C12 MNX internals InChI (mnx) InChI=1/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26-28,31,33H,1H2,2-3H3,(H2,24,32)/t10?,14?,15?,17?,22? SMILES (mnx) [CH2:1]=[C:6]1[C:9]2=[C:7]([Cl:23])[CH:4]=[CH:5][C:8]([OH:26])=[C:11]2[C:16]([OH:27])=[C:12]2[CH:10]1[CH:17]([OH:28])[CH:14]1[CH:15]([N:25]([CH3:2])[CH3:3])[C:18](=[O:29])[C:13]([C:21](=[NH:24])[OH:32])=[C:20]([OH:31])[C:22]1([OH:33])[C:19]2=[O:30]

Parent-child relations graph

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