EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H20O4 |
| Net Charge | 0 |
| Average Mass | 228.288 |
| Monoisotopic Mass | 228.13616 |
| SMILES | C[C@@H]1CCC[C@@H](O)CC=C[C@@H](O)CC(=O)O1 |
| InChI | InChI=1S/C12H20O4/c1-9-4-2-5-10(13)6-3-7-11(14)8-12(15)16-9/h3,7,9-11,13-14H,2,4-6,8H2,1H3/t9-,10-,11-/m1/s1 |
| InChIKey | CDVLBLMYCPJLOU-GMTAPVOTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Dendrodochiumspecies (ncbitaxon:2233641) | - | PubMed (23767968) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Dendrodolide J (CHEBI:226617) is a macrolide (CHEBI:25106) |
| IUPAC Name |
|---|
| (4S,8R,12R)-4,8-dihydroxy-12-methyl-1-oxacyclododec-5-en-2-one |