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BioLiP

PDB CCD ID: DBJ
Number of entries in BioLiP: 9
Chemical formula: C9 H10 O3
InChI: InChI=1S/C9H10O3/c10-6-7-2-1-3-8-9(7)12-5-4-11-8/h1-3,10H,4-6H2
InChIKey: WATIARBIFSKYKC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O1c2c(OCC1)cccc2CO
CACTVS 3.370OCc1cccc2OCCOc12
OpenEye OEToolkits 1.7.6c1cc(c2c(c1)OCCO2)CO
Name:2,3-dihydro-1,4-benzodioxin-5-ylmethanol
ZINC: ZINC000004271832
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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