EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H14O4 |
| Net Charge | 0 |
| Average Mass | 222.240 |
| Monoisotopic Mass | 222.08921 |
| SMILES | COc1cc2c(c(O)c1C)C(=O)CC[C@@H]2O |
| InChI | InChI=1S/C12H14O4/c1-6-10(16-2)5-7-8(13)3-4-9(14)11(7)12(6)15/h5,8,13,15H,3-4H2,1-2H3/t8-/m0/s1 |
| InChIKey | ZDFOMFPCBOUZSD-QMMMGPOBSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lachnum papyraceum (ncbitaxon:397620) | - | DOI (10.1021/np970145s) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,4-Dihydro-4,8-dihydroxy-6-methoxy-7-methyl-1(2H)-naphthalenone (CHEBI:217119) is a tetralins (CHEBI:36786) |
| IUPAC Name |
|---|
| 4,8-dihydroxy-6-methoxy-7-methyl-3,4-dihydro-2H-naphthalen-1-one |
| Manual Xrefs | Databases |
|---|---|
| 8528936 | ChemSpider |