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CHEBI:184854 - pinocembrin 7-apiosyl-(1→5)-apiosyl-(1→2)-glucoside
| Formula | C31H38O17 |
| Net Charge | 0 |
| Average Mass | 682.628 |
| Monoisotopic Mass | 682.21090 |
| SMILES | O=C1CC(c2ccccc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@](O)(CO[C@@H]4OC[C@](O)(CO)[C@H]4O)[C@H]3O)cc(O)c21 |
| InChI | InChI=1S/C31H38O17/c32-9-20-22(36)23(37)24(48-29-26(39)31(41,13-44-29)12-43-28-25(38)30(40,10-33)11-42-28)27(47-20)45-15-6-16(34)21-17(35)8-18(46-19(21)7-15)14-4-2-1-3-5-14/h1-7,18,20,22-29,32-34,36-41H,8-13H2/t18?,20-,22-,23+,24-,25+,26+,27-,28+,29+,30-,31-/m1/s1 |
| InChIKey | OGHKMYABKJLKTL-XXIVRLONSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| Viscum angulatum (IPNI:552259-1) | - | PubMed (12027732) |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pinocembrin 7-apiosyl-(1→5)-apiosyl-(1→2)-glucoside (CHEBI:184854) has role plant metabolite (CHEBI:76924) |
| pinocembrin 7-apiosyl-(1→5)-apiosyl-(1→2)-glucoside (CHEBI:184854) is a flavonoids (CHEBI:72544) |
| pinocembrin 7-apiosyl-(1→5)-apiosyl-(1→2)-glucoside (CHEBI:184854) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| 5-hydroxy-4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-[(2S,3R,4R)-4-({[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-β-D-glucopyranoside |
| Manual Xrefs | Databases |
|---|---|
| 115270539 | ChemSpider |
| LMPK12140145 | LIPID MAPS |
| Citations |
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