NRA
Summary
| Name: | norathyriol |
| Synonyms: | 1,3,6,7-tetrahydroxy-9H-xanthen-9-one |
| Formula: | C13 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 260.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,3,6,7-tetrahydroxy-9H-xanthen-9-one |
| OpenEye OEToolkits | 1.7.2 | 1,3,6,7-tetrakis(oxidanyl)xanthen-9-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)c(O)c3 |
| InChI | InChI | 1.03 | InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H |
| InChIKey | InChI | 1.03 | ZHTQCPCDXKMMLU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Oc1cc(O)c2C(=O)c3cc(O)c(O)cc3Oc2c1 |
| SMILES | CACTVS | 3.370 | Oc1cc(O)c2C(=O)c3cc(O)c(O)cc3Oc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1c(cc2c(c1O)C(=O)c3cc(c(cc3O2)O)O)O |
