topopyrone B

Properties Image MNX_ID MNXM113613 reference chebi:66253 formula C18H9ClO7 global charge 0 mol weight 372.716 InChIKey XQMOGUIQWMFPBF-UHFFFAOYSA-N InChI InChI=1S/C18H9ClO7/c1-5-2-8(20)13-10(26-5)4-7-11(17(13)24)16(23)12-6(15(7)22)3-9(21)14(19)18(12)25/h2-4,21,24-25H,1H3 SMILES CC1=CC(=O)C2=C(O)C3=C(C=C2O1)C(=O)C1=CC(O)=C(Cl)C(O)=C1C3=O MNX internals InChI (mnx) InChI=1/C18H9ClO7/c1-5-2-8(20)13-10(26-5)4-7-11(17(13)24)16(23)12-6(15(7)22)3-9(21)14(19)18(12)25/h2-4,21,24-25H,1H3 SMILES (mnx) [CH3:1][C:5]1=[CH:2][C:8](=[O:20])[C:13]2=[C:10]([CH:4]=[C:7]3[C:11](=[C:17]2[OH:24])[C:16](=[O:23])[C:12]2=[C:6]([CH:3]=[C:9]([OH:21])[C:14]([Cl:19])=[C:18]2[OH:25])[C:15]3=[O:22])[O:26]1

Parent-child relations graph

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