3-Hydroxy-1-methylestra-1,3,5(10),6-tetraen-17-one

Properties Image MNX_ID MNXM36475 reference chebi:79810 formula C19H22O2 global charge 0 mol weight 282.383 InChIKey KRCRSBUGDLOMGX-DRMAHVMPSA-N InChI InChI=1S/C19H22O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-16,20H,5-8H2,1-2H3/t14-,15+,16+,19+/m1/s1 SMILES CC1=CC(O)=CC2=C1[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1C=C2 MNX internals InChI (mnx) InChI=1/C19H22O2/c1-11-9-13(20)10-12-3-4-14-15(18(11)12)7-8-19(2)16(14)5-6-17(19)21/h3-4,9-10,14-16,20H,5-8H2,1-2H3/t14-,15+,16+,19+/m1/s1 SMILES (mnx) [CH3:1][C:11]1=[C:18]2[C:12](=[CH:10][C:13]([OH:20])=[CH:9]1)[CH:3]=[CH:4][C@@H:14]1[C@@H:15]2[CH2:7][CH2:8][C@@:19]2([CH3:2])[C@H:16]1[CH2:5][CH2:6][C:17]2=[O:21]

Parent-child relations graph

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