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BioLiP

PDB CCD ID: XE2
Number of entries in BioLiP: 1
Chemical formula: C15 H10 O3
InChI: InChI=1S/C15H10O3/c16-9-13-12-5-3-11(15-2-1-7-18-15)8-10(12)4-6-14(13)17/h1-9,17H
InChIKey: PAWZXRDGPTWKSP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc2cc(ccc2c1C=O)c3occc3
OpenEye OEToolkits 2.0.7c1cc(oc1)c2ccc3c(c2)ccc(c3C=O)O
ACDLabs 12.01Oc1ccc2cc(ccc2c1C=O)c1ccco1
Name:(6P)-6-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
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)(download the PDF file).
  • 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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