3-Deoxyestrone

Properties Image MNX_ID MNXM36412 reference chebi:79496 formula C18H22O global charge 0 mol weight 254.373 InChIKey LGHBWDKMGOIZKH-CBZIJGRNSA-N InChI InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1 SMILES C[C@]12CC[C@@H]3C4=C(C=CC=C4)CC[C@H]3[C@@H]1CCC2=O MNX internals InChI (mnx) InChI=1/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3/t14-,15-,16+,18+/m1/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:11][CH2:10][C@@H:14]3[C:13]4=[CH:5][CH:3]=[CH:2][CH:4]=[C:12]4[CH2:6][CH2:7][C@H:15]3[C@@H:16]1[CH2:8][CH2:9][C:17]2=[O:19]

Parent-child relations graph

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