EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H37NO5 |
| Net Charge | 0 |
| Average Mass | 479.617 |
| Monoisotopic Mass | 479.26717 |
| SMILES | C[C@H]1C/C=C/[C@H]2C=C(CO)[C@@H](C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]32OC(=O)/C=C/[C@H](O)CCC1 |
| InChI | InChI=1S/C29H37NO5/c1-19-8-6-12-23-17-22(18-31)20(2)27-25(16-21-10-4-3-5-11-21)30-28(34)29(23,27)35-26(33)15-14-24(32)13-7-9-19/h3-6,10-12,14-15,17,19-20,23-25,27,31-32H,7-9,13,16,18H2,1-2H3,(H,30,34)/b12-6+,15-14+/t19-,20+,23-,24+,25-,27-,29+/m0/s1 |
| InChIKey | NRBGZVXIBNDMCT-GVENNPLOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pyrenophora seminiperda (ncbitaxon:91370) | - | PubMed (11985851) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Cytochalazin Z2 (CHEBI:212253) is a isoindoles (CHEBI:24897) |
| IUPAC Name |
|---|
| (1R,4E,6R,10R,12E,14S,17S,18S,19S)-19-benzyl-6-hydroxy-16-(hydroxymethyl)-10,17-dimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,15-triene-3,21-dione |
| Manual Xrefs | Databases |
|---|---|
| 31148787 | ChemSpider |