pterolinus E

Properties Image MNX_ID MNXM108313 reference chebi:67385 formula C17H18O6 global charge 0 mol weight 318.325 InChIKey AKHDQNNOJBGYAP-VVVCHXIZSA-N InChI InChI=1S/C17H18O6/c1-9(11-7-14(20)16(23-3)8-12(11)18)17(21)10-4-5-15(22-2)13(19)6-10/h4-9,17,19,21H,1-3H3/t9-,17-/m1/s1 SMILES COC1=CC(=O)C([C@@H](C)[C@@H](O)C2=CC=C(OC)C(O)=C2)=CC1=O MNX internals InChI (mnx) InChI=1/C17H18O6/c1-9(11-7-14(20)16(23-3)8-12(11)18)17(21)10-4-5-15(22-2)13(19)6-10/h4-9,17,19,21H,1-3H3/t9-,17-/m1/s1 SMILES (mnx) [CH3:1][C@H:9]([C:11]1=[CH:7][C:14](=[O:20])[C:16]([O:23][CH3:3])=[CH:8][C:12]1=[O:18])[C@H:17]([C:10]1=[CH:6][C:13]([OH:19])=[C:15]([O:22][CH3:2])[CH:5]=[CH:4]1)[OH:21]

Parent-child relations graph

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