Fumaquinone

Properties Image MNX_ID MNXM1132713 reference chebi:207516 formula C17H18O5 global charge 0 mol weight 302.326 InChIKey DZMXLHINHRMDEG-UHFFFAOYSA-N InChI InChI=1S/C17H18O5/c1-8(2)5-6-10-12(18)7-11-13(15(10)20)14(19)9(3)17(22-4)16(11)21/h5,7,18,20H,6H2,1-4H3 SMILES COC1=C(C)C(=O)C2=C(C=C(O)C(CC=C(C)C)=C2O)C1=O MNX internals InChI (mnx) InChI=1/C17H18O5/c1-8(2)5-6-10-12(18)7-11-13(15(10)20)14(19)9(3)17(22-4)16(11)21/h5,7,18,20H,6H2,1-4H3 SMILES (mnx) [CH3:1][C:8]([CH3:2])=[CH:5][CH2:6][C:10]1=[C:12]([OH:18])[CH:7]=[C:11]2[C:13](=[C:15]1[OH:20])[C:14](=[O:19])[C:9]([CH3:3])=[C:17]([O:22][CH3:4])[C:16]2=[O:21]

Parent-child relations graph

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