Dataset
![molecular Image]()
Rhoifolin
Chemical Info
| InChI | InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 |
|---|---|
| SMILES | O([C@H]5C)[C@H]([C@@H]([C@@H]([C@H]5O)O)O)O[C@H]([C@H]4O)[C@@H](O[C@@H]([C@H]4O)CO)Oc(c3)cc(O1)c(c3O)C(C=C(c(c2)ccc(O)c2)1)=O |
| InChI Key | RPMNUQRUHXIGHK-PYXJVEIZSA-N |
| Molecular Formula | C27H30O14 |
| Exact Mass | 578.164 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00221 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:38:38.922510 |
| MetadataModified | 2024-01-11T16:38:39.107074 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-8253708094 | Mcule |
| 239908 | Brenda |
| HY-N0755 | MedChemExpress |
| 227779 | Brenda |
| ZINC000003978800 | ZINC |
| SCHEMBL118911 | SureChEMBL |
| HMDB0303149 | Human Metabolome Database |
| J13.923H | Nikkaji |
| CHEMBL395990 | ChEMBL |
| C12627 | KEGG Ligand |
| 31227 | ChEBI |
| 5851863 | eMolecules |
| 60005883 | NMRShiftDB |
| PD000752 | ProbesDrugs |
| LMPK12110356 | LipidMaps |
| 5282150 | PubChem |
| LSM-20984 | LINCS |
| 96100839 | PubChem: Thomson Pharma |
| 17306-46-6 | ACToR |
| MolPort-001-742-281 | MolPort |
| MTBLC31227 | Metabolights |
| K86F9AKS2A | FDA SRS |
| CB8725424 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |