Dataset

Gallocatechin; LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003904 contains the MS mass spectrum of Gallocatechin with the InChIkey XMOCLSLCDHWDHP-DOMZBBRYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1
SMILES C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
InChI Key XMOCLSLCDHWDHP-DOMZBBRYSA-N
Molecular Formula C15H14O7
Exact Mass 306.074 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-BS003904
Version
Author
Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL264167 ChEMBL
    50086925 PubChem: Drugs of the Future
    126759 Brenda
    J277.680D Nikkaji
    DTXSID10432358 EPA CompTox Dashboard
    XETNIW CCDC
    50373220 BindingDB
    HY-N0521 MedChemExpress
    HMDB0302404 Human Metabolome Database
    SCHEMBL1742127 SureChEMBL
    ZINC000003870337 ZINC
    CB2430953 ChemicalBook
    MTBLC71225 Metabolights
    538811 eMolecules
    9882981 PubChem
    PD007209 ProbesDrugs
    14849787 PubChem: Thomson Pharma
    71225 ChEBI
    60016314 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.