EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C33H32N2O8 |
| Net Charge | 0 |
| Average Mass | 584.625 |
| Monoisotopic Mass | 584.21587 |
| SMILES | COc1cc(C[C@H]2CN3C(=O)[C@@H]4[C@@H](c5ccccc5)c5c(cc6c(c5OC)OCO6)[C@@H]4[C@H]3CN2C(C)=O)cc2c1OCO2 |
| InChI | InChI=1S/C33H32N2O8/c1-17(36)34-14-22-27-21-12-25-31(43-16-41-25)32(39-3)28(21)26(19-7-5-4-6-8-19)29(27)33(37)35(22)13-20(34)9-18-10-23(38-2)30-24(11-18)40-15-42-30/h4-8,10-12,20,22,26-27,29H,9,13-16H2,1-3H3/t20-,22+,26-,27+,29+/m0/s1 |
| InChIKey | BYKOTIQEKORHBL-ORFWNXNQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Chrysosporiumspecies (ncbitaxon:40412) | - | PubMed (31975579) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Chrysosporazine F (CHEBI:220138) is a benzodioxoles (CHEBI:38298) |
| IUPAC Name |
|---|
| (2R,3S,6S,10R,11S)-5-acetyl-13-methoxy-6-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-11-phenyl-15,17-dioxa-5,8-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(19),12,14(18)-trien-9-one |
| Manual Xrefs | Databases |
|---|---|
| 81369486 | ChemSpider |