EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H40ClNO4 |
| Net Charge | 0 |
| Average Mass | 466.062 |
| Monoisotopic Mass | 465.26459 |
| SMILES | CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C/Cl)[C@]12O[C@H]1CC=C(C)C2=O)OC |
| InChI | InChI=1S/C26H40ClNO4/c1-5-6-7-8-10-13-22(31-4)14-11-9-12-15-24(29)28(3)19-21(18-27)26-23(32-26)17-16-20(2)25(26)30/h9,11,16,18,22-23H,5-8,10,12-15,17,19H2,1-4H3/b11-9+,21-18-/t22-,23-,26-/m0/s1 |
| InChIKey | NTWGVTHKTLNPTB-SERKONDUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Malyngamide N (CHEBI:206704) is a monoterpenoid (CHEBI:25409) |
| IUPAC Name |
|---|
| (E,7S)-N-[(Z)-3-chloro-2-[(1S,6S)-3-methyl-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]prop-2-enyl]-7-methoxy-N-methyltetradec-4-enamide |
| Manual Xrefs | Databases |
|---|---|
| 8703580 | ChemSpider |