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CHEBI:226836 - Quellenin
| Formula | C21H21N3O3 |
| Net Charge | 0 |
| Average Mass | 363.417 |
| Monoisotopic Mass | 363.15829 |
| SMILES | CN1C(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H]1Cc1ccc(O)cc1 |
| InChI | InChI=1S/C21H21N3O3/c1-24-19(10-13-6-8-15(25)9-7-13)20(26)23-18(21(24)27)11-14-12-22-17-5-3-2-4-16(14)17/h2-9,12,18-19,22,25H,10-11H2,1H3,(H,23,26)/t18-,19-/m0/s1 |
| InChIKey | QVUGVMYAQOTVMJ-OALUTQOASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Aspergillus (ncbitaxon:5052) | - | PubMed (29686353) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Quellenin (CHEBI:226836) has functional parent α-amino acid (CHEBI:33704) |
| Quellenin (CHEBI:226836) is a organonitrogen compound (CHEBI:35352) |
| Quellenin (CHEBI:226836) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (3S,6S)-6-[(4-hydroxyphenyl)methyl]-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione |
| Manual Xrefs | Databases |
|---|---|
| 71048387 | ChemSpider |