Dataset
![molecular Image]()
Quercetin-3-O-rutinoside
Chemical Info
| InChI | InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1 |
|---|---|
| SMILES | C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| InChI Key | IKGXIBQEEMLURG-NVPNHPEKSA-N |
| Molecular Formula | C27H30O16 |
| Exact Mass | 610.521 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302694 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T19:55:40.622882 |
| MetadataModified | 2025-02-09T18:31:09.169044 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| RUTIN | DailyMed |
| 227855 | Brenda |
| 227856 | Brenda |
| RUTIN | rxnorm |
| RUTIN | clinicaltrials |
| RUTOSIDE | clinicaltrials |
| HY-N0148 | MedChemExpress |
| DTXSID3022326 | EPA CompTox Dashboard |
| 3535 | DrugCentral |
| J818D | Nikkaji |
| KESFOD | CCDC |
| 98214 | Brenda |
| LMPK12112098 | LipidMaps |
| 12015663 | PubChem: Drugs of the Future |
| MCULE-7397273315 | Mcule |
| MTBLC28527 | Metabolights |
| C05625 | KEGG Ligand |
| RUT | PDBe |
| CHEMBL226335 | ChEMBL |
| 28527 | ChEBI |
| SAM001246528 | NIH Clinical Collection |
| ZINC000004096846 | ZINC |
| 212013 | Brenda |
| rutin | DailyMed |
| HMDB0003249 | Human Metabolome Database |
| 151059 | Brenda |
| DB01698 | DrugBank |
| MCULE-3630786289 | Mcule |
| 5280805 | PubChem |
| SCHEMBL23243 | SureChEMBL |
| 60018758 | NMRShiftDB |
| 259908 | Brenda |
| PD002873 | ProbesDrugs |
| 5G06TVY3R7 | FDA SRS |
| 14936333 | PubChem: Thomson Pharma |
| 115888-40-9 | ACToR |
| Rutin(Rutoside) | Selleck |
| 14789521 | PubChem: Thomson Pharma |
| LSM-2457 | LINCS |
| 1935978 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |