EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H14O8 |
| Net Charge | 0 |
| Average Mass | 406.346 |
| Monoisotopic Mass | 406.06887 |
| SMILES | O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)cc2)c1 |
| InChI | InChI=1S/C22H14O8/c23-19(24)15-5-13(6-16(9-15)20(25)26)11-1-2-12(4-3-11)14-7-17(21(27)28)10-18(8-14)22(29)30/h1-10H,(H,23,24)(H,25,26)(H,27,28)(H,29,30) |
| InChIKey | HQCSLVYEWMDWIZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phyllostachys violascens (ncbitaxon:1903417) | stem (BTO:0001300) | MetaboLights (MTBLS3970) | Strain: Phyllostachys violascens cv. Viridisulcata |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| H4TPTC (CHEBI:188798) is a para-terphenyl (CHEBI:75874) |
| IUPAC Name |
|---|
| 5-[4-(3,5-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 24750830 | ChemSpider |