EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27NO4 |
| Net Charge | 0 |
| Average Mass | 369.461 |
| Monoisotopic Mass | 369.19401 |
| SMILES | COc1c(C)c(C(O)[C@@H](C)O)c2nc3ccc(CC=C(C)C)cc3c2c1O |
| InChI | InChI=1S/C22H27NO4/c1-11(2)6-7-14-8-9-16-15(10-14)18-19(23-16)17(20(25)13(4)24)12(3)22(27-5)21(18)26/h6,8-10,13,20,23-26H,7H2,1-5H3/t13-,20?/m1/s1 |
| InChIKey | SALJSBDYICZFIP-CRIUFTBBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (1917704) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Neocarazostatin A (CHEBI:212684) is a carbazoles (CHEBI:48513) |
| IUPAC Name |
|---|
| (2R)-1-[4-hydroxy-3-methoxy-2-methyl-6-(3-methylbut-2-enyl)-9H-carbazol-1-yl]propane-1,2-diol |
| Manual Xrefs | Databases |
|---|---|
| 58828714 | ChemSpider |