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CHEBI:186497 - 6-Hydroxydelphinidin 3-rutinoside
| Formula | C27H31O17 |
| Net Charge | +1 |
| Average Mass | 627.528 |
| Monoisotopic Mass | 627.15558 |
| SMILES | CC1O[C@@H](OCC2O[C@@H](Oc3cc4c(O)c(O)c(O)cc4[o+]c3-c3cc(O)c(O)c(O)c3)C(O)C(O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C27H30O17/c1-7-16(31)21(36)23(38)26(41-7)40-6-15-20(35)22(37)24(39)27(44-15)43-14-4-9-13(5-12(30)19(34)17(9)32)42-25(14)8-2-10(28)18(33)11(29)3-8/h2-5,7,15-16,20-24,26-27,31,35-39H,6H2,1H3,(H5-,28,29,30,32,33,34)/p+1/t7?,15?,16-,20+,21-,22?,23?,24?,26+,27+/m0/s1 |
| InChIKey | ROXHSXZJNQVAKD-HYWHQFHVSA-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) |
| 6-Hydroxydelphinidin 3-rutinoside (CHEBI:186497) is a anthocyanidin glycoside (CHEBI:71583) |
| IUPAC Name |
|---|
| 2-(3,4,5-trihydroxyphenyl)-3-[(2S,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromenylium-5,6,7-triol |
| Manual Xrefs | Databases |
|---|---|
| 24842472 | ChemSpider |
| LMPK12010429 | LIPID MAPS |