EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C25H46O4 |
| Net Charge | 0 |
| Average Mass | 410.639 |
| Monoisotopic Mass | 410.33961 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC(CO)CO |
| InChI | InChI=1S/C25H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-24(22-26)23-27/h6-7,9-10,24,26-27H,2-5,8,11-23H2,1H3/b7-6-,10-9- |
| InChIKey | PFISEVUKDJTNGO-HZJYTTRNSA-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) |
| MG(0:0/22:2(13Z,16Z)/0:0) (CHEBI:169365) is a 2-monoglyceride (CHEBI:17389) |
| IUPAC Name |
|---|
| 1,3-dihydroxypropan-2-yl (13Z,16Z)-docosa-13,16-dienoate |
| Manual Xrefs | Databases |
|---|---|
| HMDB0011553 | HMDB |
| 24765777 | ChemSpider |