EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H11NO4 |
| Net Charge | 0 |
| Average Mass | 185.179 |
| Monoisotopic Mass | 185.06881 |
| SMILES | C[C@H](O)[C@]1(O)[C@H](O)C=C(C#N)[C@H]1O |
| InChI | InChI=1S/C8H11NO4/c1-4(10)8(13)6(11)2-5(3-9)7(8)12/h2,4,6-7,10-13H,1H3/t4-,6+,7+,8-/m0/s1 |
| InChIKey | XTQRPPSVJOYBFK-IHBLQFBFSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trichoderma harzianum (ncbitaxon:5544) | - | PubMed (7490227) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| MR304A (CHEBI:204450) is a tertiary alcohol (CHEBI:26878) |
| IUPAC Name |
|---|
| (3R,4S,5R)-3,4,5-trihydroxy-4-[(1S)-1-hydroxyethyl]cyclopentene-1-carbonitrile |
| Manual Xrefs | Databases |
|---|---|
| 61276345 | ChemSpider |