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BioLiP

PDB CCD ID: QMA
Number of entries in BioLiP: 1
Chemical formula: C12 H10 O3
InChI: InChI=1S/C12H10O3/c1-15-9-3-4-10-8(6-9)2-5-12(14)11(10)7-13/h2-7,14H,1H3
InChIKey: OTNKCGQLSHSABI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)ccc(c2C=O)O
ACDLabs 12.01c1cc(O)c(C=O)c2ccc(cc12)OC
CACTVS 3.385COc1ccc2c(ccc(O)c2C=O)c1
Name:2-hydroxy-6-methoxynaphthalene-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).
  • 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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