| PDB CCD ID: | 7OU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H16 O9 |
| InChI: | InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1 |
| InChIKey: | XHCADAYNFIFUHF-TVKJYDDYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1c2c(cc(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)C=C2 | | CACTVS 3.385 | OC[CH]1O[CH](Oc2cc3C=CC(=O)Oc3cc2O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | OC[C@H]1O[C@@H](Oc2cc3C=CC(=O)Oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O | | OpenEye OEToolkits 2.0.7 | c1c2c(cc(c1OC3C(C(C(C(O3)CO)O)O)O)O)OC(=O)C=C2 |
|
| Name: | 6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one;
Esculin |
| ChEMBL: | CHEMBL482581 |
| DrugBank: | DB13155 |
| ZINC: | ZINC000003860441 |
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