Dihydroshikonofuran

Properties Image MNX_ID MNXM11387 reference chebi:81532 formula C16H20O3 global charge 0 mol weight 260.333 InChIKey RLSJCCIBFMIPMJ-UHFFFAOYSA-N InChI InChI=1S/C16H20O3/c1-11(2)4-3-5-12-8-16(19-10-12)14-9-13(17)6-7-15(14)18/h4,6-9,16-18H,3,5,10H2,1-2H3 SMILES CC(C)=CCCC1=CC(C2=C(O)C=CC(O)=C2)OC1 MNX internals InChI (mnx) InChI=1/C16H20O3/c1-11(2)4-3-5-12-8-16(19-10-12)14-9-13(17)6-7-15(14)18/h4,6-9,16-18H,3,5,10H2,1-2H3/t16? SMILES (mnx) [CH3:1][C:11]([CH3:2])=[CH:4][CH2:3][CH2:5][C:12]1=[CH:8][CH:16]([C:14]2=[C:15]([OH:18])[CH:7]=[CH:6][C:13]([OH:17])=[CH:9]2)[O:19][CH2:10]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0