Dataset
2,6-Dihydroxyacetophenone
Chemical Info
InChI | InChI=1S/C8H8O3/c1-5(9)8-6(10)3-2-4-7(8)11/h2-4,10-11H,1H3 |
---|---|
SMILES | C(C(=O)C1=C(C(=C(C(=C1O[H])[H])[H])[H])O[H])([H])([H])[H] |
InChI Key | YPTJKHVBDCRKNF-UHFFFAOYSA-N |
Molecular Formula | C8H8O3 |
Exact Mass | 152.047 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003110 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:31.682009 |
MetadataModified | 2024-01-11T12:34:31.854661 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL454739 | ChEMBL |
476215 | eMolecules |
9EQ | PDBe |
HY-Y0106 | MedChemExpress |
173644 | ChEBI |
ZINC000000157768 | ZINC |
50249071 | BindingDB |
DTXSID00220185 | EPA CompTox Dashboard |
71295 | Brenda |
HMDB0029660 | Human Metabolome Database |
CB9707858 | ChemicalBook |
PD158440 | ProbesDrugs |
88BO51G3Y2 | FDA SRS |
15120176 | PubChem: Thomson Pharma |
699-83-2 | ACToR |
SCHEMBL105807 | SureChEMBL |
20209859 | NMRShiftDB |
69687 | PubChem |
J141.629D | Nikkaji |
WAKHEW | CCDC |
MCULE-4595729640 | Mcule |
The data in this table is sourced from UniChem at EBI. |