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CHEBI:186440 - Pelargonidin 3-sambubioside-5-glucoside
| Formula | C32H39O19 |
| Net Charge | +1 |
| Average Mass | 727.645 |
| Monoisotopic Mass | 727.20801 |
| SMILES | OCC1O[C@@H](Oc2cc3c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)C(O[C@@H]2OC[C@@H](O)C(O)[C@H]2O)C(O)[C@@H]1O |
| InChI | InChI=1S/C32H38O19/c33-8-19-22(39)24(41)27(44)31(49-19)47-17-6-13(36)5-16-14(17)7-18(28(46-16)11-1-3-12(35)4-2-11)48-32-29(25(42)23(40)20(9-34)50-32)51-30-26(43)21(38)15(37)10-45-30/h1-7,15,19-27,29-34,37-44H,8-10H2,(H-,35,36)/p+1/t15-,19?,20?,21?,22-,23-,24+,25?,26-,27?,29?,30+,31-,32-/m1/s1 |
| InChIKey | NNEATHLRLZWIRN-OIZSHMMZSA-O |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS3750) | Strain: C57BL/6 Mouse [NCIT:C14424] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Pelargonidin 3-sambubioside-5-glucoside (CHEBI:186440) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| (2S,4S,5S)-2-[3-[(2S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7-hydroxy-2-(4-hydroxyphenyl)chromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| 24842072 | ChemSpider |
| LMPK12010025 | LIPID MAPS |