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CHEBI:230707 - aleplasinin
| Formula | C28H27NO3 |
| Net Charge | 0 |
| Average Mass | 425.528 |
| Monoisotopic Mass | 425.19909 |
| SMILES | Cc1cccc(-c2ccc3c(c2)c(C(=O)C(=O)O)cn3Cc2ccc(C(C)(C)C)cc2)c1 |
| InChI | InChI=1S/C28H27NO3/c1-18-6-5-7-20(14-18)21-10-13-25-23(15-21)24(26(30)27(31)32)17-29(25)16-19-8-11-22(12-9-19)28(2,3)4/h5-15,17H,16H2,1-4H3,(H,31,32) |
| InChIKey | HSXLMAFNWCSZGP-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS9087) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| aleplasinin (CHEBI:230707) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 2-[1-[(4-tert-butylphenyl)methyl]-5-(3-methylphenyl)indol-3-yl]-2-oxoacetic acid |