estra-1,3,5(10),7-tetraene-3,17alpha-diol

Properties Image MNX_ID MNXM23303 reference chebi:186959 formula C18H22O2 global charge 0 mol weight 270.372 InChIKey NLLMJANWPUQQTA-SPUZQDLCSA-N InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m1/s1 SMILES C[C@]12CC[C@H]3C(=CCC4=C3C=CC(O)=C4)[C@@H]1CC[C@H]2O MNX internals InChI (mnx) InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16-17,19-20H,2,6-9H2,1H3/t14-,16+,17-,18+/m1/s1 SMILES (mnx) [CH3:1][C@:18]12[CH2:9][CH2:8][C@@H:14]3[C:13]4=[CH:5][CH:3]=[C:12]([OH:19])[CH:10]=[C:11]4[CH2:2][CH:4]=[C:15]3[C@@H:16]1[CH2:6][CH2:7][C@H:17]2[OH:20]

Parent-child relations graph

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