anhydrotetracycline

Properties Image MNX_ID MNXM3914 reference chebi:58032 formula C22H22N2O7 global charge 0 mol weight 426.425 InChIKey CXCVEERYMJZMMM-DOCRCCHOSA-N InChI InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1 SMILES CC1=C2C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C2=C(O)C2=C(O)C=CC=C12 MNX internals InChI (mnx) InChI=1/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1 SMILES (mnx) [CH3:1][C:8]1=[C:9]2[CH:5]=[CH:4][CH:6]=[C:12]([OH:25])[C:13]2=[C:17]([OH:26])[C:14]2=[C:10]1[CH2:7][C@H:11]1[C@H:16]([N:24]([CH3:2])[CH3:3])[C:18]([OH:27])=[C:15]([C:21](=[NH:23])[OH:30])[C:20](=[O:29])[C@@:22]1([OH:31])[C:19]2=[O:28]

Parent-child relations graph

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