Dataset

Mangostin; LC-APCI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81667 contains the MS mass spectrum of Mangostin with the InChIkey GNRIZKKCNOBBMO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
SMILES CC(=CCC1=C(C=C2C(=C1O)C(=O)C3=C(C(=C(C=C3O2)O)OC)CC=C(C)C)O)C
InChI Key GNRIZKKCNOBBMO-UHFFFAOYSA-N
Molecular Formula C24H26O6
Exact Mass 410.173 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-BML81667
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-enyl)xanthen-9-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:67547 chebi
    MKS rcsb_pdb
    CHEMBL323197 chembl
    29433195 surechembl
    29466055 surechembl
    354735 surechembl
    5281650 pubchem
    U6RIV93RU1 fdasrs
    13469 gtopdb
    PD000768 probes_and_drugs
    WAFVAC CCDC
    10096 brenda
    213713 brenda
    220839 brenda
    HMDB0035796 hmdb
    Molport-001-736-566 molport
    50214969 bindingdb
    The data in this table is sourced from UniChem at EBI.