EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:222783 - 14-acetylgliocladic acid
| Formula | C16H24O5 |
| Net Charge | 0 |
| Average Mass | 296.363 |
| Monoisotopic Mass | 296.16237 |
| SMILES | CC(=O)OCC1=C[C@H](/C=C(\CO)C(=O)O)[C@@H](C(C)C)CC1 |
| InChI | InChI=1S/C16H24O5/c1-10(2)15-5-4-12(9-21-11(3)18)6-13(15)7-14(8-17)16(19)20/h6-7,10,13,15,17H,4-5,8-9H2,1-3H3,(H,19,20)/b14-7+/t13-,15-/m1/s1 |
| InChIKey | FXUZDRZGBNXNEY-ZWJJSVNDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trichoderma (ncbitaxon:5543) | - | PubMed (30596497) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 14-acetylgliocladic acid (CHEBI:222783) is a p-menthane monoterpenoid (CHEBI:25186) |
| IUPAC Name |
|---|
| (E)-3-[(1R,6R)-3-(acetyloxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]-2-(hydroxymethyl)prop-2-enoic acid |
| Manual Xrefs | Databases |
|---|---|
| 128434768 | ChemSpider |