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BioLiP

PDB CCD ID: MUG
Number of entries in BioLiP: 4
Chemical formula: C16 H18 O8
InChI: InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1
InChIKey: YUDPTGPSBJVHCN-JZYAIQKZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1=CC(=O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)ccc12
ACDLabs 10.04O=C2Oc3cc(OC1OC(C(O)C(O)C1O)CO)ccc3C(=C2)C
CACTVS 3.341CC1=CC(=O)Oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12
OpenEye OEToolkits 1.5.0CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)O)O)O
OpenEye OEToolkits 1.5.0CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Name:4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE
DrugBank: DB02639
ZINC: ZINC000004282201
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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