Dataset
Kaempferol-3-O-glucoside
Chemical Info
InChI | InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 |
---|---|
SMILES | C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])OC4(C(C(C(C(O4)(C(O[H])([H])[H])[H])(O[H])[H])(O[H])[H])(O[H])[H])[H])[H])[H])O[H])[H])[H] |
InChI Key | JPUKWEQWGBDDQB-QSOFNFLRSA-N |
Molecular Formula | C21H20O11 |
Exact Mass | 448.101 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-BS-BS003477 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:37:28.424332 |
MetadataModified | 2024-01-11T12:37:28.580838 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
HY-N0015 | MedChemExpress |
LMPK12111725 | LipidMaps |
MCULE-5200434087 | Mcule |
ZINC000004102435 | ZINC |
60005543 | NMRShiftDB |
APM8UQ3Z9O | FDA SRS |
J12.462A | Nikkaji |
SCHEMBL23897 | SureChEMBL |
CHEMBL233930 | ChEMBL |
30200 | ChEBI |
C12249 | KEGG Ligand |
12015893 | PubChem: Drugs of the Future |
29781636 | eMolecules |
1935883 | eMolecules |
5282102 | PubChem |
PD063634 | ProbesDrugs |
14983634 | PubChem: Thomson Pharma |
14833174 | PubChem: Thomson Pharma |
480-10-4 | ACToR |
CB3732744 | ChemicalBook |
124774 | Brenda |
143457 | Brenda |
211309 | Brenda |
151393 | Brenda |
11527 | Brenda |
9190 | Brenda |
MTBLC30200 | Metabolights |
HMDB0037429 | Human Metabolome Database |
MolPort-001-740-346 | MolPort |
226182 | BindingDB |
78818 | Brenda |
The data in this table is sourced from UniChem at EBI. |