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BioLiP

PDB CCD ID: 0BJ
Number of entries in BioLiP: 5
Chemical formula: C16 H14 O6
InChI: InChI=1S/C16H14O6/c1-8-6-9(16(21)22-2)13(12(19)7-8)15(20)14-10(17)4-3-5-11(14)18/h3-7,17-19H,1-2H3
InChIKey: HZZOIPFDIKYDFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)O)C(=O)c2c(cccc2O)O)C(=O)OC
CACTVS 3.385COC(=O)c1cc(C)cc(O)c1C(=O)c2c(O)cccc2O
Name:methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate
ZINC: ZINC000036375397
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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