Dataset

Luteolin-8-C-glucoside; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR302197 contains the MS2 mass spectrum of Luteolin-8-C-glucoside with the InChIkey PLAPMLGJVGLZOV-VPRICQMDSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC(O)=C(O)C=C1
InChI Key PLAPMLGJVGLZOV-VPRICQMDSA-N
Molecular Formula C21H20O11
Exact Mass 448.380 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-RIKEN-PR302197
Version
Author
Maintainer
Language
MetadataPublished 2019-03-28
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    28608-75-5 ACToR
    IAX93XCW6C FDA SRS
    PD080413 ProbesDrugs
    60019472 NMRShiftDB
    5281675 PubChem
    32175083 eMolecules
    SCHEMBL25942 SureChEMBL
    ZINC000004098560 ZINC
    MTBLC7781 Metabolights
    CB7710333 ChemicalBook
    C10114 KEGG Ligand
    CHEMBL520866 ChEMBL
    7781 ChEBI
    LMPK12110470 LipidMaps
    HY-N0405 MedChemExpress
    232573 Brenda
    USE PDBe
    DTXSID60182790 EPA CompTox Dashboard
    J17.734B Nikkaji
    84982 BindingDB
    The data in this table is sourced from UniChem at EBI.