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BioLiP

PDB CCD ID: XV5
Number of entries in BioLiP: 1
Chemical formula: C15 H10 O5
InChI: InChI=1S/C15H10O5/c16-10-7-12(18)11(17)5-8(10)6-14-15(19)9-3-1-2-4-13(9)20-14/h1-7,16-18H
InChIKey: VVYKSKJYFAOSBP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1cc(O)c(cc1O)C=C2Oc3ccccc3C2=O
CACTVS 3.385Oc1cc(O)c(cc1O)/C=C/2Oc3ccccc3C/2=O
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C(=O)C(=Cc3cc(c(cc3O)O)O)O2
ACDLabs 12.01Oc1cc(/C=C2\Oc3ccccc3C2=O)c(O)cc1O
Name:(2Z)-2-[(2,4,5-trihydroxyphenyl)methylidene]-1-benzofuran-3(2H)-one
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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