EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:191838 - Brevifolincarboxylic acid 9-sulfate
| Formula | C13H8O11S |
| Net Charge | 0 |
| Average Mass | 372.263 |
| Monoisotopic Mass | 371.97873 |
| SMILES | O=C1CC(C(=O)O)c2c1oc(=O)c1cc(O)c(O)c(OS(=O)(=O)O)c21 |
| InChI | InChI=1S/C13H8O11S/c14-5-2-4-8(11(9(5)16)24-25(20,21)22)7-3(12(17)18)1-6(15)10(7)23-13(4)19/h2-3,14,16H,1H2,(H,17,18)(H,20,21,22) |
| InChIKey | FOTVSXFSPLKLQZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) | ||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Brevifolincarboxylic acid 9-sulfate (CHEBI:191838) is a isocoumarins (CHEBI:38758) |
| IUPAC Name |
|---|
| 7,8-dihydroxy-3,5-dioxo-9-sulooxy-1,2-dihydrocyclopenta[c]isochromene-1-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 35013374 | ChemSpider |
| HMDB0031592 | HMDB |