16-Ketoestrone

Properties Image MNX_ID MNXM1108129 reference chebi:34166 formula C18H20O3 global charge 0 mol weight 284.355 InChIKey ANPHVANSJXDRTP-BSXFFOKHSA-N InChI InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1 SMILES C[C@]12CC[C@@H]3C4=CC=C(O)C=C4CC[C@H]3[C@@H]1CC(=O)C2=O MNX internals InChI (mnx) InChI=1/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:7][CH2:6][C@@H:13]3[C:12]4=[CH:5][CH:3]=[C:11]([OH:19])[CH:8]=[C:10]4[CH2:2][CH2:4][C@H:14]3[C@@H:15]1[CH2:9][C:16](=[O:20])[C:17]2=[O:21]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0