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CHEBI:177566 - 4-Methylumbelliferyl beta-D-cellobioside
| Formula | C22H28O13 |
| Net Charge | 0 |
| Average Mass | 500.453 |
| Monoisotopic Mass | 500.15299 |
| SMILES | Cc1cc(=O)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)ccc12 |
| InChI | InChI=1S/C22H28O13/c1-8-4-14(25)32-11-5-9(2-3-10(8)11)31-21-19(30)17(28)20(13(7-24)34-21)35-22-18(29)16(27)15(26)12(6-23)33-22/h2-5,12-13,15-24,26-30H,6-7H2,1H3/t12-,13-,15-,16+,17-,18-,19-,20-,21-,22+/m1/s1 |
| InChIKey | PRTGXBPFDYMIJH-MKQZUAMYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Methylumbelliferyl beta-D-cellobioside (CHEBI:177566) is a coumarins (CHEBI:23403) |
| 4-Methylumbelliferyl beta-D-cellobioside (CHEBI:177566) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 7-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one |
| Manual Xrefs | Databases |
|---|---|
| 112246 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| CAS:72626-61-0 | ChemIDplus |