EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H18O2 |
| Net Charge | 0 |
| Average Mass | 218.296 |
| Monoisotopic Mass | 218.13068 |
| SMILES | Cc1cc2c(c(C)c1CCO)C(=O)C(C)C2 |
| InChI | InChI=1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3 |
| InChIKey | SJNCSXMTBXDZQA-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ulmus parvifolia (ncbitaxon:63058) | |||
| bark (BTO:0001301) | MetaboLights (MTBLS4572) | ||
| seed (BTO:0001226) | MetaboLights (MTBLS4572) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-Pterosin B (CHEBI:191612) is a indanones (CHEBI:24789) |
| IUPAC Name |
|---|
| 6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one |
| Manual Xrefs | Databases |
|---|---|
| HMDB0030759 | HMDB |
| 4478765 | ChemSpider |