Dataset
Glycitein
Chemical Info
InChI | InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3 |
---|---|
SMILES | C(OC1=C(C(=C2C(=C1[H])C(=O)C(=C(O2)[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])O[H])([H])([H])[H] |
InChI Key | DXYUAIFZCFRPTH-UHFFFAOYSA-N |
Molecular Formula | C16H12O5 |
Exact Mass | 284.068 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-BS003688 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:35:35.784337 |
MetadataModified | 2024-01-11T12:35:35.957467 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
C14536 | KEGG Ligand |
2735801 | eMolecules |
164082 | Brenda |
13662 | Brenda |
MTBLC34778 | Metabolights |
CHEMBL513024 | ChEMBL |
CB7253674 | ChemicalBook |
LSM-45527 | LINCS |
HMDB0005781 | Human Metabolome Database |
LMPK12050104 | LipidMaps |
DTXSID40193960 | EPA CompTox Dashboard |
234048 | Brenda |
HY-N0016 | MedChemExpress |
50241530 | BindingDB |
ZINC000005999205 | ZINC |
J17.583H | Nikkaji |
SCHEMBL19720 | SureChEMBL |
5317750 | PubChem |
60030482 | NMRShiftDB |
PD015502 | ProbesDrugs |
14873132 | PubChem: Thomson Pharma |
34778 | ChEBI |
40957-83-3 | ACToR |
92M5F28TVF | FDA SRS |
The data in this table is sourced from UniChem at EBI. |