| PDB CCD ID: | A1IET |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C25 H22 O10 |
| InChI: | InChI=1S/C25H22O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,22-24,26-30,32H,9H2,1H3/t14-,22-,23+,24+/m0/s1 |
| InChIKey: | BMLIIPOXVWESJG-KEDVUCMTSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COc1cc(ccc1O)[C@@H]2[C@H](c3cc(cc(c3O2)O)[C@@H]4[C@H](C(=O)c5c(cc(cc5O4)O)O)O)CO | | CACTVS 3.385 | COc1cc(ccc1O)[C@H]2Oc3c(O)cc(cc3[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O | | OpenEye OEToolkits 2.0.7 | COc1cc(ccc1O)C2C(c3cc(cc(c3O2)O)C4C(C(=O)c5c(cc(cc5O4)O)O)O)CO | | CACTVS 3.385 | COc1cc(ccc1O)[CH]2Oc3c(O)cc(cc3[CH]2CO)[CH]4Oc5cc(O)cc(O)c5C(=O)[CH]4O |
|
| Name: | (2~{R},3~{R})-2-[(2~{S},3~{R})-3-(hydroxymethyl)-2-(3-methoxy-4-oxidanyl-phenyl)-7-oxidanyl-2,3-dihydro-1-benzofuran-5-yl]-3,5,7-tris(oxidanyl)-2,3-dihydrochromen-4-one |
| ChEMBL: | CHEMBL589325 |
