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CHEBI:228757 - 2-[(3-methylbenzo[b]thiophen-2-yl)carbonyl]benzoic acid
| Formula | C17H12O3S |
| Net Charge | 0 |
| Average Mass | 296.347 |
| Monoisotopic Mass | 296.05072 |
| SMILES | Cc1c(C(=O)c2ccccc2C(=O)O)sc2ccccc12 |
| InChI | InChI=1S/C17H12O3S/c1-10-11-6-4-5-9-14(11)21-16(10)15(18)12-7-2-3-8-13(12)17(19)20/h2-9H,1H3,(H,19,20) |
| InChIKey | VDVUQDXJGUWTNV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | MetaboLights (MTBLS8662) | |
| Zea mays (ncbitaxon:4577) | exometabolome | MetaboLights (MTBLS8903) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3-methylbenzo[b]thiophen-2-yl)carbonyl]benzoic acid (CHEBI:228757) is a aromatic ketone (CHEBI:76224) |
| IUPAC Name |
|---|
| 2-(3-methyl-1-benzothiophene-2-carbonyl)benzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 2060101 | ChemSpider |