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BioLiP

PDB CCD ID: 9OK
Number of entries in BioLiP: 2
Chemical formula: C14 H20 O8
InChI: InChI=1S/C14H20O8/c15-6-11-12(19)13(20)14(7-16,22-11)21-4-3-8-1-2-9(17)10(18)5-8/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1
InChIKey: LKYHMBCDFKCNAO-YIYPIFLZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@@](CO)(OCCc2ccc(O)c(O)c2)[C@@H](O)[C@@H]1O
CACTVS 3.385OC[CH]1O[C](CO)(OCCc2ccc(O)c(O)c2)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6c1cc(c(cc1CCO[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O
OpenEye OEToolkits 2.0.6c1cc(c(cc1CCOC2(C(C(C(O2)CO)O)O)CO)O)O
Name:2-(3,4-dihydroxyphenyl)ethyl beta-D-fructofuranoside;
fructosyl-hydroxytyrosol;
2-(3,4-dihydroxyphenyl)ethyl beta-D-fructoside;
2-(3,4-dihydroxyphenyl)ethyl D-fructoside;
2-(3,4-dihydroxyphenyl)ethyl fructoside
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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