EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H12O8 |
| Net Charge | 0 |
| Average Mass | 332.264 |
| Monoisotopic Mass | 332.05322 |
| SMILES | COc1cc(-c2oc3c(O)c(O)cc(O)c3c(=O)c2O)ccc1O |
| InChI | InChI=1S/C16H12O8/c1-23-10-4-6(2-3-7(10)17)15-14(22)13(21)11-8(18)5-9(19)12(20)16(11)24-15/h2-5,17-20,22H,1H3 |
| InChIKey | QBFAWRDCFGNKSP-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Haplogenin (CHEBI:196353) is a hydroxyflavan (CHEBI:72010) |
| IUPAC Name |
|---|
| 3,5,7,8-tetrahydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one |
| Manual Xrefs | Databases |
|---|---|
| LMPK12113235 | LIPID MAPS |
| 24845759 | ChemSpider |