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CHEBI:209392 - (1R,4R,5S,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-4,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione
| Formula | C28H37NO5 |
| Net Charge | 0 |
| Average Mass | 467.606 |
| Monoisotopic Mass | 467.26717 |
| SMILES | C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23C(=O)C[C@@H](O)[C@@](C)(O)C[C@@H](C)C/C=C/[C@H]3[C@@H]1O |
| InChI | InChI=1S/C28H37NO5/c1-16-9-8-12-20-25(32)18(3)17(2)24-21(13-19-10-6-5-7-11-19)29-26(33)28(20,24)23(31)14-22(30)27(4,34)15-16/h5-8,10-12,16-17,20-22,24-25,30,32,34H,3,9,13-15H2,1-2,4H3,(H,29,33)/b12-8+/t16-,17+,20-,21-,22+,24-,25+,27-,28+/m0/s1 |
| InChIKey | LKQNJXBAEOWNOG-XXZYVQDUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Daldiniaspecies (ncbitaxon:1769485) | - | DOI (10.1016/0031-9422(95)00201-h) |
| Roles Classification |
|---|
| Biological Roles: | fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R,4R,5S,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-4,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione (CHEBI:209392) is a cytochalasan alkaloid (CHEBI:75946) |
| IUPAC Name |
|---|
| (1R,4R,5S,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-4,5,12-trihydroxy-5,7,14-trimethyl-13-methylidene-17-azatricyclo[9.7.0.01,15]octadec-9-ene-2,18-dione |
| Manual Xrefs | Databases |
|---|---|
| 78438471 | ChemSpider |