EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22O6 |
| Net Charge | 0 |
| Average Mass | 358.390 |
| Monoisotopic Mass | 358.14164 |
| SMILES | O[C@H]1[C@@H]2[C@H]([C@@H](O)CCC23Oc2cccc4cccc(c24)O3)[C@@H](O)C[C@@H]1O |
| InChI | InChI=1S/C20H22O6/c21-11-7-8-20(18-17(11)12(22)9-13(23)19(18)24)25-14-5-1-3-10-4-2-6-15(26-20)16(10)14/h1-6,11-13,17-19,21-24H,7-9H2/t11-,12-,13-,17+,18-,19+/m0/s1 |
| InChIKey | JNPNKBNCYQQGCP-HTUUWXQOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Rhytidhysteronspecies AS21B (ncbitaxon:1586718) | - | PubMed (24663115) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Rhytidone A (CHEBI:226870) is a naphthalenes (CHEBI:25477) |
| IUPAC Name |
|---|
| (1S,2S,4S,4aR,5S,8aS)-spiro[2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene-8,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1,2,4,5-tetrol |
| Manual Xrefs | Databases |
|---|---|
| 32674785 | ChemSpider |