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CHEBI:192445 - Pyrithioxin dihydrochloride
| Formula | C16H20N2O4S2.2HCl |
| Net Charge | 0 |
| Average Mass | 441.402 |
| Monoisotopic Mass | 440.03980 |
| SMILES | Cc1ncc(CSSCc2cnc(C)c(O)c2CO)c(CO)c1O.Cl.Cl |
| InChI | InChI=1S/C16H20N2O4S2.2ClH/c1-9-15(21)13(5-19)11(3-17-9)7-23-24-8-12-4-18-10(2)16(22)14(12)6-20;;/h3-4,19-22H,5-8H2,1-2H3;2*1H |
| InChIKey | HRZWYHGGJOWGRI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pinus radiata (ncbitaxon:3347) | leaf (BTO:0000713) | MetaboLights (MTBLS4567) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pyrithioxin dihydrochloride (CHEBI:192445) is a methylpyridines (CHEBI:25340) |
| IUPAC Name |
|---|
| 5-[[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyldisulanyl]methyl]-4-(hydroxymethyl)-2-methylpyridin-3-ol;dihydrochloride |
| Manual Xrefs | Databases |
|---|---|
| 74296 | ChemSpider |