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CHEBI:168067 - Acetyl tributyl citrate
| Formula | C20H34O8 |
| Net Charge | 0 |
| Average Mass | 402.484 |
| Monoisotopic Mass | 402.22537 |
| SMILES | CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC |
| InChI | InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3 |
| InChIKey | QZCLKYGREBVARF-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Malus domestica (ncbitaxon:3750) | exocarp (BTO:0000733) | MetaboLights (MTBLS2384) | Strain: Malus x domestica Borkh. cv. Ruixue |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Acetyl tributyl citrate (CHEBI:168067) has functional parent tetracarboxylic acid (CHEBI:35742) |
| Acetyl tributyl citrate (CHEBI:168067) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| tributyl 2-acetyloxypropane-1,2,3-tricarboxylate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0034159 | HMDB |
| 6259 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:77-90-7 | ChemIDplus |