EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H35NO5 |
| Net Charge | 0 |
| Average Mass | 429.557 |
| Monoisotopic Mass | 429.25152 |
| SMILES | C[C@@H](O)[C@H](O)[C@@H](C)C/C=C/[C@H]1[C@@H]2O[C@]2(C)[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]21O |
| InChI | InChI=1S/C25H35NO5/c1-14(21(28)16(3)27)9-8-12-18-22-24(4,31-22)15(2)20-19(26-23(29)25(18,20)30)13-17-10-6-5-7-11-17/h5-8,10-12,14-16,18-22,27-28,30H,9,13H2,1-4H3,(H,26,29)/b12-8+/t14-,15-,16+,18-,19-,20-,21+,22-,24+,25+/m0/s1 |
| InChIKey | PYBCICUBSSPZBO-BOVDKGFNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cytochalasin Z21 (CHEBI:204045) is a isoindoles (CHEBI:24897) |
| IUPAC Name |
|---|
| (1aS,2S,2aS,5S,5aS,6S,6aR)-5-benzyl-2-[(E,4S,5R,6R)-5,6-dihydroxy-4-methylhept-1-enyl]-2a-hydroxy-6,6a-dimethyl-1a,2,4,5,5a,6-hexahydrooxireno[2,3-]isoindol-3-one |
| Manual Xrefs | Databases |
|---|---|
| 27025501 | ChemSpider |