chrysophanol-9-anthrone

Properties Image MNX_ID MNXM8421 reference chebi:3686 formula C15H12O3 global charge 0 mol weight 240.258 InChIKey ZZBWSNKBZKPGAK-UHFFFAOYSA-N InChI InChI=1S/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-6,16-17H,7H2,1H3 SMILES CC1=CC2=C(C(=O)C3=C(C=CC=C3O)C2)C(O)=C1 MNX internals InChI (mnx) InChI=1/C15H12O3/c1-8-5-10-7-9-3-2-4-11(16)13(9)15(18)14(10)12(17)6-8/h2-6,16-17H,7H2,1H3 SMILES (mnx) [CH3:1][C:8]1=[CH:6][C:12]([OH:17])=[C:14]2[C:10](=[CH:5]1)[CH2:7][C:9]1=[C:13]([C:11]([OH:16])=[CH:4][CH:2]=[CH:3]1)[C:15]2=[O:18]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0