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BioLiP

PDB CCD ID: QOI
Number of entries in BioLiP: 10
Chemical formula: C14 H8 O5
InChI: InChI=1S/C14H8O5/c15-6-4-8-12(10(17)5-6)14(19)11-7(13(8)18)2-1-3-9(11)16/h1-5,15-17H
InChIKey: VVEKCQAFOLKNKB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(c(c1)O)C(=O)c3c(cc(cc3O)O)C2=O
CACTVS 3.385Oc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1
Name:1,3,8-tris(oxidanyl)anthracene-9,10-dione
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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