EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H22O8 |
| Net Charge | 0 |
| Average Mass | 390.388 |
| Monoisotopic Mass | 390.13147 |
| SMILES | C[C@@H]1CCC[C@@H]2C[C@@](O)(CC(=O)O1)[C@@H]1C(=O)c3c(O)cc(O)cc3[C@@]2(O)C1=O |
| InChI | InChI=1S/C20H22O8/c1-9-3-2-4-10-7-19(26,8-14(23)28-9)16-17(24)15-12(20(10,27)18(16)25)5-11(21)6-13(15)22/h5-6,9-10,16,21-22,26-27H,2-4,7-8H2,1H3/t9-,10-,16-,19-,20-/m1/s1 |
| InChIKey | SULZYUZOGJXPLI-SIDHVLMVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Annulohypoxylonspecies (ncbitaxon:1896106) | - | DOI (10.1016/j.tetlet.2018.01.001) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Hypoxylide (CHEBI:218128) is a naphthoquinone (CHEBI:25481) |
| IUPAC Name |
|---|
| (1R,2R,10R,11R,15R)-2,5,7,11-tetrahydroxy-15-methyl-14-oxatetracyclo[9.7.1.12,10.03,8]icosa-3(8),4,6-triene-9,13,20-trione |
| Manual Xrefs | Databases |
|---|---|
| 64808844 | ChemSpider |