Dataset
Hyperoside
Chemical Info
InChI | InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15+,17+,18-,21+/m1/s1 |
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SMILES | OC[C@@H](O1)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C(=O)3)=C(Oc(c4)c(c(O)cc(O)4)3)c(c2)cc(O)c(O)c2 |
InChI Key | OVSQVDMCBVZWGM-DTGCRPNFSA-N |
Molecular Formula | C21H20O12 |
Exact Mass | 464.095 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00157 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:42:50.520014 |
MetadataModified | 2024-01-11T16:42:50.697918 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
C10073 | KEGG Ligand |
12015313 | PubChem: Drugs of the Future |
SAM001246776 | NIH Clinical Collection |
CHEMBL251254 | ChEMBL |
531295 | eMolecules |
67486 | ChEBI |
J12.400A | Nikkaji |
SCHEMBL1250514 | SureChEMBL |
15058548 | PubChem: Thomson Pharma |
5281643 | PubChem |
60021422 | NMRShiftDB |
LMPK12112041 | LipidMaps |
J6O | PDBe |
8O1CR18L82 | FDA SRS |
LSM-5907 | LINCS |
PD002972 | ProbesDrugs |
CB9240043 | ChemicalBook |
HMDB0030775 | Human Metabolome Database |
71872 | Brenda |
11743 | Brenda |
15941 | Brenda |
66582 | Brenda |
60669 | Brenda |
MTBLC67486 | Metabolights |
56625 | Brenda |
MCULE-5363142212 | Mcule |
HY-N0452 | MedChemExpress |
429266 | BindingDB |
ZINC000003973253 | ZINC |
The data in this table is sourced from UniChem at EBI. |