EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H12O5 |
| Net Charge | 0 |
| Average Mass | 248.234 |
| Monoisotopic Mass | 248.06847 |
| SMILES | O=C1c2cc(O)ccc2O[C@@H]2CC[C@@H](C(=O)O)[C@H]12 |
| InChI | InChI=1S/C13H12O5/c14-6-1-3-9-8(5-6)12(15)11-7(13(16)17)2-4-10(11)18-9/h1,3,5,7,10-11,14H,2,4H2,(H,16,17)/t7-,10-,11+/m1/s1 |
| InChIKey | UBUDHORULOYWEA-ONOSFVFSSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma applanatum (ncbitaxon:29884) | - | DOI (10.1016/j.tet.2016.06.019) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (-)-applanatumol X (CHEBI:210528) is a chromones (CHEBI:23238) |
| IUPAC Name |
|---|
| (1R,3aR,9aS)-7-hydroxy-9-oxo-2,3,3a,9a-tetrahydro-1H-cyclopenta[b]chromene-1-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78441098 | ChemSpider |