desoxyhemigossypol-6-methyl ether

Properties Image MNX_ID MNXM11344 reference metacycM:CPD-9528 formula C16H18O3 global charge 0 mol weight 258.317 InChIKey ZMCDJIAUWJBTEN-UHFFFAOYSA-N InChI InChI=1S/C16H18O3/c1-8(2)13-10-5-9(3)6-12-14(10)11(7-19-12)15(17)16(13)18-4/h5-6,8,17H,7H2,1-4H3 SMILES COC1=C(C(C)C)C2=CC(C)=CC3=C2C(=C1O)CO3 MNX internals InChI (mnx) InChI=1/C16H18O3/c1-8(2)13-10-5-9(3)6-12-14(10)11(7-19-12)15(17)16(13)18-4/h5-6,8,17H,7H2,1-4H3 SMILES (mnx) [CH3:1][CH:8]([CH3:2])[C:13]1=[C:10]2[CH:5]=[C:9]([CH3:3])[CH:6]=[C:12]3[C:14]2=[C:11]([CH2:7][O:19]3)[C:15]([OH:17])=[C:16]1[O:18][CH3:4]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0