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BioLiP

PDB CCD ID: REF
Number of entries in BioLiP: 4
Chemical formula: C14 H6 O8
InChI: InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
InChIKey: AFSDNFLWKVMVRB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34
OpenEye OEToolkits 1.5.0c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O
ACDLabs 10.04O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O)c2cc(O)c3O
Name:2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione;
Ellagic acid, 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone
ChEMBL: CHEMBL6246
DrugBank: DB08846
ZINC: ZINC000003872446
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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