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CHEBI:168588 - 1,5-Dibutyl methyl hydroxycitrate
| Formula | C15H26O8 |
| Net Charge | 0 |
| Average Mass | 334.365 |
| Monoisotopic Mass | 334.16277 |
| SMILES | CCCCOC(=O)CC(O)(C(=O)OC)C(O)C(=O)OCCCC |
| InChI | InChI=1S/C15H26O8/c1-4-6-8-22-11(16)10-15(20,14(19)21-3)12(17)13(18)23-9-7-5-2/h12,17,20H,4-10H2,1-3H3 |
| InChIKey | JRMBFEKUMNWOIE-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) |
| 1,5-Dibutyl methyl hydroxycitrate (CHEBI:168588) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| 1-O,3-O-dibutyl 2-O-methyl 1,2-dihydroxypropane-1,2,3-tricarboxylate |
| Manual Xrefs | Databases |
|---|---|
| 8149709 | ChemSpider |
| HMDB0040461 | HMDB |