emodin anthrone

Properties Image MNX_ID MNXM11486 reference chebi:150013 formula C15H12O4 global charge 0 mol weight 256.257 InChIKey LAJSXCAVRQXZIO-UHFFFAOYSA-N InChI InChI=1S/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3 SMILES CC1=CC2=C(C(=O)C3=C(C=C(O)C=C3O)C2)C(O)=C1 MNX internals InChI (mnx) InChI=1/C15H12O4/c1-7-2-8-4-9-5-10(16)6-12(18)14(9)15(19)13(8)11(17)3-7/h2-3,5-6,16-18H,4H2,1H3 SMILES (mnx) [CH3:1][C:7]1=[CH:2][C:8]2=[C:13]([C:11]([OH:17])=[CH:3]1)[C:15](=[O:19])[C:14]1=[C:12]([OH:18])[CH:6]=[C:10]([OH:16])[CH:5]=[C:9]1[CH2:4]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1