EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:198207 - Hygrophorone C12
| Formula | C18H30O4 |
| Net Charge | 0 |
| Average Mass | 310.434 |
| Monoisotopic Mass | 310.21441 |
| SMILES | CCCCCCCCCCCCC(=O)[C@]1(O)C(=O)C=C[C@H]1O |
| InChI | InChI=1S/C18H30O4/c1-2-3-4-5-6-7-8-9-10-11-12-15(19)18(22)16(20)13-14-17(18)21/h13-14,16,20,22H,2-12H2,1H3/t16-,18-/m1/s1 |
| InChIKey | TYFBKCNLJSYFSS-SJLPKXTDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hygrophorus persoonii (ncbitaxon:1032769) | - | PubMed (15110686) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hygrophorone C12 (CHEBI:198207) is a secondary α-hydroxy ketone (CHEBI:2468) |
| IUPAC Name |
|---|
| (4R,5S)-4,5-dihydroxy-5-tridecanoylcyclopent-2-en-1-one |
| Manual Xrefs | Databases |
|---|---|
| 78436331 | ChemSpider |