EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H32O4 |
| Net Charge | 0 |
| Average Mass | 348.483 |
| Monoisotopic Mass | 348.23006 |
| SMILES | CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1C |
| InChI | InChI=1S/C21H32O4/c1-6-19-14(2)9-7-8-10-18(22)16(4)13-17(5)21(24)15(3)11-12-20(23)25-19/h7-12,14-17,19,21,24H,6,13H2,1-5H3/b9-7+,10-8+,12-11+/t14-,15-,16+,17-,19+,21+/m0/s1 |
| InChIKey | OKKXFUWPZCKUST-BLBACJNTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Protomycinolide IV (CHEBI:80021) is a macrolide (CHEBI:25106) |
| Manual Xrefs | Databases |
|---|---|
| C15685 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| CAS:79495-87-7 | KEGG COMPOUND |