PDB CCD ID: | FL9 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C15 H8 Br2 O6 |
InChI: | InChI=1S/C15H8Br2O6/c16-7-1-5(13(20)12(17)14(7)21)2-10-15(22)11-8(19)3-6(18)4-9(11)23-10/h1-4,18-21H/b10-2- |
InChIKey: | BRPKBUNFOZFULQ-SGAXSIHGSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.341 | Oc1cc(O)c2C(=O)C(Oc2c1)=Cc3cc(Br)c(O)c(Br)c3O | ACDLabs 10.04 | Brc1cc(c(O)c(Br)c1O)\C=C3/Oc2cc(O)cc(O)c2C3=O | OpenEye OEToolkits 1.5.0 | c1c(cc2c(c1O)C(=O)C(=Cc3cc(c(c(c3O)Br)O)Br)O2)O | CACTVS 3.341 | Oc1cc(O)c2C(=O)\C(Oc2c1)=C\c3cc(Br)c(O)c(Br)c3O |
|
Name: | 3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE |
DrugBank: | DB07775 |