Demethylpraecanson B

Properties Image MNX_ID MNXM49020 reference lipidmapsM:LMPK12120385 formula C21H20O5 global charge 0 mol weight 352.386 InChIKey LVLWMEHPCPSNOQ-PTNGSMBKSA-N InChI InChI=1S/C21H20O5/c1-21(2)10-9-14-17(26-21)12-18(25-3)19(20(14)24)16(23)11-15(22)13-7-5-4-6-8-13/h4-12,22,24H,1-3H3/b15-11- SMILES COC1=C(C(=O)/C=C(\O)C2=CC=CC=C2)C(O)=C2C=CC(C)(C)OC2=C1 MNX internals InChI (mnx) InChI=1/C21H20O5/c1-21(2)10-9-14-17(26-21)12-18(25-3)19(20(14)24)16(23)11-15(22)13-7-5-4-6-8-13/h4-12,22,24H,1-3H3/b15-11- SMILES (mnx) [CH3:1][C:21]1([CH3:2])[CH:10]=[CH:9][C:14]2=[C:17]([CH:12]=[C:18]([O:25][CH3:3])[C:19]([C:16](/[CH:11]=[C:15](/[C:13]3=[CH:7][CH:5]=[CH:4][CH:6]=[CH:8]3)[OH:22])=[O:23])=[C:20]2[OH:24])[O:26]1

Parent-child relations graph

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