Dataset
Apigenin-7-O-glucoside (Apigetrin)
Chemical Info
InChI | InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1 |
---|---|
SMILES | C1=CC(=CC=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 |
InChI Key | KMOUJOKENFFTPU-QNDFHXLGSA-N |
Molecular Formula | C21H20O10 |
Exact Mass | 432.106 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-BS003710 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:35:51.395767 |
MetadataModified | 2024-01-11T12:35:51.555747 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
SCHEMBL146404 | SureChEMBL |
5280704 | PubChem |
60019529 | NMRShiftDB |
LMPK12110336 | LipidMaps |
15501740 | PubChem: Thomson Pharma |
258568 | Brenda |
LSM-2286 | LINCS |
PD002119 | ProbesDrugs |
7OF2S66PCH | FDA SRS |
HMDB0037340 | Human Metabolome Database |
17641 | Brenda |
56648 | Brenda |
71571 | Brenda |
15631 | Brenda |
123324 | Brenda |
123664 | Brenda |
123663 | Brenda |
48191 | Brenda |
23205 | Brenda |
12768 | Brenda |
17642 | Brenda |
43632 | Brenda |
MTBLC16778 | Metabolights |
37133 | Brenda |
J22.571A | Nikkaji |
ZINC000003983877 | ZINC |
MCULE-8522272831 | Mcule |
HY-N0578 | MedChemExpress |
50378582 | BindingDB |
C04608 | KEGG Ligand |
CHEMBL487017 | ChEMBL |
16778 | ChEBI |
508991 | eMolecules |
The data in this table is sourced from UniChem at EBI. |