REF
Summary
| Name: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione |
| Synonyms: | Ellagic acid, 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone |
| Formula: | C14 H6 O8 |
| Formal charge: | 0 |
| Formula weight: | 302.193 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O)c2cc(O)c3O |
| SMILES_CANONICAL | CACTVS | 3.341 | Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34 |
| SMILES | CACTVS | 3.341 | Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)O)O)OC2=O |
| InChI | InChI | 1.03 | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H |
| InChIKey | InChI | 1.03 | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
