EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H14O5 |
| Net Charge | 0 |
| Average Mass | 286.283 |
| Monoisotopic Mass | 286.08412 |
| SMILES | [H]OC(=O)C([H])([H])C([H])([H])C1([H])c2c([H])c([H])c(O[H])c([H])c2Oc2c([H])c(O[H])c([H])c([H])c21 |
| InChI | InChI=1S/C16H14O5/c17-9-1-3-12-11(5-6-16(19)20)13-4-2-10(18)8-15(13)21-14(12)7-9/h1-4,7-8,11,17-18H,5-6H2,(H,19,20) |
| InChIKey | PFQGLFBMMPZYEU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID (CHEBI:43349) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 3-(3,6-dihydroxy-9H-xanthen-9-yl)propanoic acid | PDBeChem |
| 3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| HXP | PDBeChem |