EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H10O8 |
| Net Charge | 0 |
| Average Mass | 330.248 |
| Monoisotopic Mass | 330.03757 |
| SMILES | COC(=O)c1ccc2c(=O)c3cc(O)cc(C(=O)O)c3oc2c1O |
| InChI | InChI=1S/C16H10O8/c1-23-16(22)8-3-2-7-11(18)9-4-6(17)5-10(15(20)21)13(9)24-14(7)12(8)19/h2-5,17,19H,1H3,(H,20,21) |
| InChIKey | PTYYVBPXCVLOAP-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (25611519) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Penixanacid A (CHEBI:218324) is a xanthones (CHEBI:51149) |
| IUPAC Name |
|---|
| 2,5-dihydroxy-6-methoxycarbonyl-9-oxoxanthene-4-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 35516681 | ChemSpider |