EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30N2O4 |
| Net Charge | 0 |
| Average Mass | 362.470 |
| Monoisotopic Mass | 362.22056 |
| SMILES | C[C@H](NC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C)O1)c1ccccc1 |
| InChI | InChI=1S/C20H30N2O4/c1-14(15-6-4-3-5-7-15)21-20(24)10-17-8-9-18-19(26-17)13-25-12-16(23)11-22(18)2/h3-7,14,16-19,23H,8-13H2,1-2H3,(H,21,24)/t14-,16+,17-,18-,19+/m0/s1 |
| InChIKey | NMDXYNYYBFJXDF-YCVVXREPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-methyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(1S)-1-phenylethyl]acetamide (CHEBI:127847) is a oxanes (CHEBI:46942) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39403 | LINCS |