Dataset
Luteolin-7-glucoside
Chemical Info
InChI | InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1 |
---|---|
SMILES | C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
InChI Key | PEFNSGRTCBGNAN-QNDFHXLGSA-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-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00114 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:19.000317 |
MetadataModified | 2024-01-11T22:28:19.164595 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL233929 | ChEMBL |
27994 | ChEBI |
12015660 | PubChem: Drugs of the Future |
C03951 | KEGG Ligand |
1935910 | eMolecules |
35875945 | eMolecules |
5280637 | PubChem |
60018816 | NMRShiftDB |
15082528 | PubChem: Thomson Pharma |
26811-41-6 | ACToR |
5373-11-5 | ACToR |
PD063636 | ProbesDrugs |
98J6XDS46I | FDA SRS |
SCHEMBL149118 | SureChEMBL |
50241242 | BindingDB |
MCULE-8191036162 | Mcule |
229321 | Brenda |
ZINC000004096258 | ZINC |
241955 | Brenda |
LMPK12113403 | LipidMaps |
HY-N0540 | MedChemExpress |
CB4369516 | ChemicalBook |
HMDB0035588 | Human Metabolome Database |
55908 | Brenda |
32671 | Brenda |
12809 | Brenda |
29650 | Brenda |
165116 | Brenda |
18642 | Brenda |
17638 | Brenda |
56649 | Brenda |
3645 | Brenda |
66408 | Brenda |
115984 | Brenda |
96055 | Brenda |
MTBLC27994 | Metabolights |
123348 | Brenda |
141760 | Brenda |
J94.450E | Nikkaji |
The data in this table is sourced from UniChem at EBI. |