EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22O5 |
| Net Charge | 0 |
| Average Mass | 342.391 |
| Monoisotopic Mass | 342.14672 |
| SMILES | C[C@]12CCC3=C(C(=O)c4occ5c4[C@]3(C)[C@H]3O[C@H]3[C@@H]5O)[C@@H]1CC[C@@H]2O |
| InChI | InChI=1S/C20H22O5/c1-19-6-5-10-12(9(19)3-4-11(19)21)15(23)16-13-8(7-24-16)14(22)17-18(25-17)20(10,13)2/h7,9,11,14,17-18,21-22H,3-6H2,1-2H3/t9-,11-,14+,17-,18-,19-,20+/m0/s1 |
| InChIKey | XPAHMBAVRBKIJS-SOIVEFKOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Talaromyces (ncbitaxon:5094) | - | PubMed (26828954) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Wortmannolol (CHEBI:206618) is a naphthofuran (CHEBI:39270) |
| IUPAC Name |
|---|
| (1R,5S,6S,9R,16R,17S,19R)-6,16-dihydroxy-1,5-dimethyl-13,18-dioxahexacyclo[10.7.1.02,10.05,9.015,20.017,19]icosa-2(10),12(20),14-trien-11-one |
| Manual Xrefs | Databases |
|---|---|
| 78437318 | ChemSpider |