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CHEBI:202038 - Erinacerin N
| Formula | C19H28N2O6 |
| Net Charge | 0 |
| Average Mass | 380.441 |
| Monoisotopic Mass | 380.19474 |
| SMILES | CCC(C)[C@@H](N=C(C(=O)O)[C@@H](O)C(C)C)n1cc(C(C)=O)c(=O)cc1CO |
| InChI | InChI=1S/C19H28N2O6/c1-6-11(4)18(20-16(19(26)27)17(25)10(2)3)21-8-14(12(5)23)15(24)7-13(21)9-22/h7-8,10-11,17-18,22,25H,6,9H2,1-5H3,(H,26,27)/t11?,17-,18-/m0/s1 |
| InChIKey | RWZAFFUQHQDREK-AZOLZQDUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Hericium erinaceus (ncbitaxon:91752) | |||
| - | DOI (10.1016/j.tet.2015.10.068) | ||
| - | DOI (10.1016/j.phytol.2019.04.017) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Erinacerin N (CHEBI:202038) is a aromatic ketone (CHEBI:76224) |
| IUPAC Names |
|---|
| (3S)-2-[(1R)-1-[5-acetyl-2-(hydroxymethyl)-4-oxopyridin-1-yl]-2-methylbutyl]imino-3-hydroxy-4-methylpentanoic acid |
| 4-[5-methoxy-2-methyl-2-(4-methyl-2-oxopent-3-enyl)-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]butanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436802 | ChemSpider |