Dataset

Phloretin; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81930 contains the MS mass spectrum of Phloretin with the InChIkey VGEREEWJJVICBM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
SMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
InChI Key VGEREEWJJVICBM-UHFFFAOYSA-N
Molecular Formula C15H14O5
Exact Mass 274.084 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-BML81930
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    530473 eMolecules
    4788 PubChem
    PD002003 ProbesDrugs
    S5J5OE47MK FDA SRS
    LSM-6221 LINCS
    14750659 PubChem: Thomson Pharma
    60-82-2 ACToR
    Phloretin(Dihydronaringenin) Selleck
    SCHEMBL38131 SureChEMBL
    MCULE-3672992389 Mcule
    20123979 NMRShiftDB
    CB4161608 ChemicalBook
    17276 Rhea
    HMDB0003306 Human Metabolome Database
    155332 Brenda
    1762 Brenda
    MTBLC17276 Metabolights
    17276 ChEBI
    CHEMBL45068 ChEMBL
    G50 PDBe
    81044353 PubChem: Drugs of the Future
    C00774 KEGG Ligand
    DB07810 DrugBank
    107644 Brenda
    PHLORETIN rxnorm
    HY-N0142 MedChemExpress
    234443 Brenda
    233935 Brenda
    DTXSID6022393 EPA CompTox Dashboard
    23446 BindingDB
    ZINC000000047553 ZINC
    4285 Guide to Pharmacology
    J4.808I Nikkaji
    CIMDUB CCDC
    LMPK12120525 LipidMaps
    The data in this table is sourced from UniChem at EBI.