Dataset
Hesperidin
Chemical Info
InChI | InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
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SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O)O |
InChI Key | QUQPHWDTPGMPEX-QJBIFVCTSA-N |
Molecular Formula | C28H34O15 |
Exact Mass | 610.190 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-FIO00491 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:36:56.621889 |
MetadataModified | 2024-01-11T16:36:56.789899 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL449317 | ChEMBL |
28775 | ChEBI |
C09755 | KEGG Ligand |
30069634 | eMolecules |
711497 | eMolecules |
10621 | PubChem |
PD013341 | ProbesDrugs |
E750O06Y6O | FDA SRS |
16371849 | PubChem: Thomson Pharma |
106904-63-6 | ACToR |
Hesperidin | Selleck |
14765138 | PubChem: Thomson Pharma |
LSM-2858 | LINCS |
DB04703 | DrugBank |
2513 | Brenda |
hesperidin | DailyMed |
60004390 | NMRShiftDB |
CB3234127 | ChemicalBook |
28775 | Rhea |
89282 | Brenda |
HESPERIDIN | DailyMed |
LMPK12140451 | LipidMaps |
61776 | BindingDB |
HESPERIDIN | rxnorm |
DTXSID9044328 | EPA CompTox Dashboard |
HY-15337 | MedChemExpress |
HESPERIDIN | clinicaltrials |
ZINC000008143568 | ZINC |
J4.480F | Nikkaji |
MCULE-4801748188 | Mcule |
MolPort-001-794-015 | MolPort |
SCHEMBL94586 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |