Austrobailignan 7

Properties Image MNX_ID MNXM119536 reference chebi:175347 formula C20H22O5 global charge 0 mol weight 342.391 InChIKey JPDORDSJPIKURD-UAFHBQARSA-N InChI InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19+,20-/m0/s1 SMILES COC1=C(O)C=CC([C@@H]2O[C@H](C3=CC=C4OCOC4=C3)[C@@H](C)[C@@H]2C)=C1 MNX internals InChI (mnx) InChI=1/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19+,20-/m0/s1 SMILES (mnx) [CH3:1][C@H:11]1[C@H:12]([CH3:2])[C@@H:20]([C:14]2=[CH:9][C:18]3=[C:16]([CH:7]=[CH:5]2)[O:23][CH2:10][O:24]3)[O:25][C@H:19]1[C:13]1=[CH:8][C:17]([O:22][CH3:3])=[C:15]([OH:21])[CH:6]=[CH:4]1

Parent-child relations graph

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