3-(1,1-Dimethylallyl)scopoletin

Properties Image MNX_ID MNXM117298 reference chebi:174419 formula C15H16O4 global charge 0 mol weight 260.289 InChIKey NEUWPSXOYGGGFO-UHFFFAOYSA-N InChI InChI=1S/C15H16O4/c1-5-15(2,3)10-6-9-7-13(18-4)11(16)8-12(9)19-14(10)17/h5-8,16H,1H2,2-4H3 SMILES C=CC(C)(C)C1=CC2=C(C=C(O)C(OC)=C2)OC1=O MNX internals InChI (mnx) InChI=1/C15H16O4/c1-5-15(2,3)10-6-9-7-13(18-4)11(16)8-12(9)19-14(10)17/h5-8,16H,1H2,2-4H3 SMILES (mnx) [CH2:1]=[CH:5][C:15]([CH3:2])([CH3:3])[C:10]1=[CH:6][C:9]2=[CH:7][C:13]([O:18][CH3:4])=[C:11]([OH:16])[CH:8]=[C:12]2[O:19][C:14]1=[O:17]

Parent-child relations graph

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