Dataset
Eriodictyol
Chemical Info
InChI | InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1 |
---|---|
SMILES | C1(C(OC2=C(C(=C(C(=C2C1=O)O[H])[H])O[H])[H])(C3=C(C(=C(C(=C3[H])[H])O[H])O[H])[H])[H])([H])[H] |
InChI Key | SBHXYTNGIZCORC-ZDUSSCGKSA-N |
Molecular Formula | C15H12O6 |
Exact Mass | 288.063 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-BS003467 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:11.058305 |
MetadataModified | 2024-01-11T12:34:11.224298 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL8996 | ChEMBL |
ERD | PDBe |
C05631 | KEGG Ligand |
28412 | ChEBI |
HY-N0637 | MedChemExpress |
50325671 | BindingDB |
ZINC000000058117 | ZINC |
J139.243C | Nikkaji |
CUBLIX | CCDC |
LMPK12140002 | LipidMaps |
530027 | eMolecules |
155181 | Brenda |
56283 | Brenda |
HMDB0005810 | Human Metabolome Database |
28412 | Rhea |
DTXSID70877706 | EPA CompTox Dashboard |
CB5714685 | ChemicalBook |
2485 | Brenda |
25536 | Brenda |
13319 | Brenda |
7953 | Brenda |
16182577 | PubChem: Thomson Pharma |
440735 | PubChem |
60021690 | NMRShiftDB |
PD088135 | ProbesDrugs |
69623 | Brenda |
Q520486B8Y | FDA SRS |
552-58-9 | ACToR |
SCHEMBL19180 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |