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CHEBI:227165 - Trans-Ruakuric acid
| Formula | C13H14O6 |
| Net Charge | 0 |
| Average Mass | 266.249 |
| Monoisotopic Mass | 266.07904 |
| SMILES | CO[C@H]1C[C@H](C(=O)O)Oc2ccc(C(C)=O)c(O)c21 |
| InChI | InChI=1S/C13H14O6/c1-6(14)7-3-4-8-11(12(7)15)9(18-2)5-10(19-8)13(16)17/h3-4,9-10,15H,5H2,1-2H3,(H,16,17)/t9-,10+/m0/s1 |
| InChIKey | CGGAQALKXMDCPN-VHSXEESVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus fumigatus (ncbitaxon:746128) | - | DOI (10.1016/0031-9422(96)00224-5) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Trans-Ruakuric acid (CHEBI:227165) is a 1-benzopyran (CHEBI:38443) |
| IUPAC Name |
|---|
| (2R,4S)-6-acetyl-5-hydroxy-4-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78440446 | ChemSpider |