beta-cotonefuran

Properties Image MNX_ID MNXM43791 reference chebi:10361 formula C16H16O6 global charge 0 mol weight 304.298 InChIKey NUNJCHKNADZUSZ-UHFFFAOYSA-N InChI InChI=1S/C16H16O6/c1-18-11-7-9-8-5-6-10(17)14(19-2)12(8)22-13(9)16(21-4)15(11)20-3/h5-7,17H,1-4H3 SMILES COC1=C(OC)C(OC)=C2OC3=C(C=CC(O)=C3OC)C2=C1 MNX internals InChI (mnx) InChI=1/C16H16O6/c1-18-11-7-9-8-5-6-10(17)14(19-2)12(8)22-13(9)16(21-4)15(11)20-3/h5-7,17H,1-4H3 SMILES (mnx) [CH3:1][O:18][C:11]1=[C:15]([O:20][CH3:3])[C:16]([O:21][CH3:4])=[C:13]2[C:9](=[CH:7]1)[C:8]1=[C:12]([C:14]([O:19][CH3:2])=[C:10]([OH:17])[CH:6]=[CH:5]1)[O:22]2

Parent-child relations graph

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