EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H28O6 |
| Net Charge | 0 |
| Average Mass | 388.460 |
| Monoisotopic Mass | 388.18859 |
| SMILES | CCCc1cc(=O)oc2c(C(=O)C(C)CC)c3c(c(O)c12)CC(O)C(C)(C)O3 |
| InChI | InChI=1S/C22H28O6/c1-6-8-12-9-15(24)27-21-16(12)19(26)13-10-14(23)22(4,5)28-20(13)17(21)18(25)11(3)7-2/h9,11,14,23,26H,6-8,10H2,1-5H3 |
| InChIKey | IWAUBOJXTGEZNN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pyranomammea B (CHEBI:175950) is a coumarins (CHEBI:23403) |
| IUPAC Name |
|---|
| 3,5-dihydroxy-2,2-dimethyl-10-(2-methylbutanoyl)-6-propyl-3,4-dihydropyrano[3,2-g]chromen-8-one |
| Manual Xrefs | Databases |
|---|---|
| 35014723 | ChemSpider |
| HMDB0039029 | HMDB |