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CHEBI:188797 - Dimethyl 4,4'-ethyne-1,2-diyldibenzoate
| Formula | C18H14O4 |
| Net Charge | 0 |
| Average Mass | 294.306 |
| Monoisotopic Mass | 294.08921 |
| SMILES | COC(=O)c1ccc(C#Cc2ccc(C(=O)OC)cc2)cc1 |
| InChI | InChI=1S/C18H14O4/c1-21-17(19)15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)18(20)22-2/h5-12H,1-2H3 |
| InChIKey | HVBNYTAAHLESOR-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Phyllostachys violascens (ncbitaxon:1903417) | stem (BTO:0001300) | MetaboLights (MTBLS3970) | Strain: Phyllostachys violascens cv. Viridisulcata |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Dimethyl 4,4'-ethyne-1,2-diyldibenzoate (CHEBI:188797) is a benzoate ester (CHEBI:36054) |
| IUPAC Name |
|---|
| methyl 4-[2-(4-methoxycarbonylphenyl)ethynyl]benzoate |
| Manual Xrefs | Databases |
|---|---|
| 553743 | ChemSpider |