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CHEBI:201679 - Oxolobaric acid
| Formula | C25H26O9 |
| Net Charge | 0 |
| Average Mass | 470.474 |
| Monoisotopic Mass | 470.15768 |
| SMILES | CCCCCc1c2c(cc(O)c1C(=O)O)OC(=O)c1c(cc(OC)cc1C(=O)CCC(C)=O)O2 |
| InChI | InChI=1S/C25H26O9/c1-4-5-6-7-15-21(24(29)30)18(28)12-20-23(15)33-19-11-14(32-3)10-16(22(19)25(31)34-20)17(27)9-8-13(2)26/h10-12,28H,4-9H2,1-3H3,(H,29,30) |
| InChIKey | MWCXCMJYRLNDGU-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Anzia hypoleucoides (ncbitaxon:315936) | - | DOI (10.1071/c97020) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Oxolobaric acid (CHEBI:201679) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 3-hydroxy-9-methoxy-6-oxo-7-(4-oxopentanoyl)-1-pentylbenzo[b][1,4]benzodioxepine-2-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78434698 | ChemSpider |