Dehydrongaione

Properties Image MNX_ID MNXM48938 reference chebi:4368 formula C15H20O3 global charge 0 mol weight 248.322 InChIKey QQYXBLIHHIHFCW-LSDHHAIUSA-N InChI InChI=1S/C15H20O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7-8,10,14H,4,6,9H2,1-3H3/t14-,15+/m0/s1 SMILES CC(C)=CC(=O)C[C@@]1(C)CC[C@@H](C2=COC=C2)O1 MNX internals InChI (mnx) InChI=1/C15H20O3/c1-11(2)8-13(16)9-15(3)6-4-14(18-15)12-5-7-17-10-12/h5,7-8,10,14H,4,6,9H2,1-3H3/t14-,15+/m0/s1 SMILES (mnx) [CH3:1][C:11]([CH3:2])=[CH:8][C:13]([CH2:9][C@@:15]1([CH3:3])[CH2:6][CH2:4][C@@H:14]([C:12]2=[CH:10][O:17][CH:7]=[CH:5]2)[O:18]1)=[O:16]

Parent-child relations graph

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