EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H12O4 |
| Net Charge | 0 |
| Average Mass | 232.235 |
| Monoisotopic Mass | 232.07356 |
| SMILES | Cc1cc(O)c2c(=O)c3c(oc2c1)CC[C@H]3O |
| InChI | InChI=1S/C13H12O4/c1-6-4-8(15)12-10(5-6)17-9-3-2-7(14)11(9)13(12)16/h4-5,7,14-15H,2-3H2,1H3/t7-/m1/s1 |
| InChIKey | LHEGTEUTDBMPBL-SSDOTTSWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Coniochaeta (ncbitaxon:79808) | - | DOI (10.1016/0040-4039(95)01174-G) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Coniochaetone B (CHEBI:207904) is a chromones (CHEBI:23238) |
| IUPAC Name |
|---|
| (1R)-1,8-dihydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[b]chromen-9-one |
| Manual Xrefs | Databases |
|---|---|
| 8438799 | ChemSpider |