EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H28N2O4 |
| Net Charge | 0 |
| Average Mass | 360.454 |
| Monoisotopic Mass | 360.20491 |
| SMILES | O=C(C[C@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NC1Cc2ccccc2C1 |
| InChI | InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)12-25-11-16)9-20(24)22-15-7-13-3-1-2-4-14(13)8-15/h1-4,15-19,21,23H,5-12H2,(H,22,24)/t16-,17+,18+,19-/m0/s1 |
| InChIKey | VINMFOKKSKWMTO-MANSERQUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide (CHEBI:101533) is a indanes (CHEBI:46940) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12896 | LINCS |