EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H16O6 |
| Net Charge | 0 |
| Average Mass | 316.309 |
| Monoisotopic Mass | 316.09469 |
| SMILES | Cc1cc(O)c(C(=O)O)c2c1C1=C(C(=O)C2=O)C(C)(C)[C@@H](C)O1 |
| InChI | InChI=1S/C17H16O6/c1-6-5-8(18)10(16(21)22)11-9(6)15-12(14(20)13(11)19)17(3,4)7(2)23-15/h5,7,18H,1-4H3,(H,21,22)/t7-/m1/s1 |
| InChIKey | UEGKCDRWQOATED-SSDOTTSWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Penicillium (ncbitaxon:5073) | - | PubMed (29734036) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Peniciphenalenin D (CHEBI:215902) is a naphthofuran (CHEBI:39270) |
| IUPAC Name |
|---|
| (2R)-7-hydroxy-2,3,3,9-tetramethyl-4,5-dioxo-2H-benzo[g][1]benzouran-6-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 71048834 | ChemSpider |