EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H14O7 |
| Net Charge | 0 |
| Average Mass | 318.281 |
| Monoisotopic Mass | 318.07395 |
| SMILES | COC(=O)C1=COCCc2oc3cc(CO)cc(O)c3c(=O)c21 |
| InChI | InChI=1S/C16H14O7/c1-21-16(20)9-7-22-3-2-11-13(9)15(19)14-10(18)4-8(6-17)5-12(14)23-11/h4-5,7,17-18H,2-3,6H2,1H3 |
| InChIKey | SKCRDIDQZJCWDG-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chalara (ncbitaxon:13000) | - | DOI (10.1002/ejoc.200700839) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Isofusidienol D (CHEBI:202866) is a chromones (CHEBI:23238) |
| IUPAC Name |
|---|
| methyl 10-hydroxy-8-(hydroxymethyl)-11-oxo-4,5-dihydrooxepino[4,5-b]chromene-1-carboxylate |
| Manual Xrefs | Databases |
|---|---|
| 78434734 | ChemSpider |