1alpha-O-Methylquassin

Properties Image MNX_ID MNXM116216 reference chebi:175241 formula C23H32O6 global charge 0 mol weight 404.503 InChIKey YHEQIRIWAKHQFI-UHFFFAOYSA-N InChI InChI=1S/C23H32O6/c1-11-8-15(26-5)21(28-7)23(4)13(11)9-16-22(3)14(10-17(24)29-16)12(2)19(27-6)18(25)20(22)23/h8,11,13-14,16,20-21H,9-10H2,1-7H3 SMILES COC1=CC(C)C2CC3OC(=O)CC4C(C)=C(OC)C(=O)C(C34C)C2(C)C1OC MNX internals InChI (mnx) InChI=1/C23H32O6/c1-11-8-15(26-5)21(28-7)23(4)13(11)9-16-22(3)14(10-17(24)29-16)12(2)19(27-6)18(25)20(22)23/h8,11,13-14,16,20-21H,9-10H2,1-7H3/t11?,13?,14?,16?,20?,21?,22?,23? SMILES (mnx) [CH3:1][CH:11]1[CH:8]=[C:15]([O:26][CH3:5])[CH:21]([O:28][CH3:7])[C:23]2([CH3:4])[CH:13]1[CH2:9][CH:16]1[C:22]3([CH3:3])[CH:14]([CH2:10][C:17](=[O:24])[O:29]1)[C:12]([CH3:2])=[C:19]([O:27][CH3:6])[C:18](=[O:25])[CH:20]32

Parent-child relations graph

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