Dataset

Aloe-Emodin-8-O-glycoside; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80710 contains the MS mass spectrum of Aloe-Emodin-8-O-glycoside with the InChIkey KIZBWUUJNJEYCM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H20O10/c22-6-8-4-10-14(11(24)5-8)18(27)15-9(16(10)25)2-1-3-12(15)30-21-20(29)19(28)17(26)13(7-23)31-21/h1-5,13,17,19-24,26,28-29H,6-7H2
SMILES C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C=C(C=C4C2=O)CO)O
InChI Key KIZBWUUJNJEYCM-UHFFFAOYSA-N
Molecular Formula C21H20O10
Exact Mass 432.106 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-BML80710
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Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 1-hydroxy-3-(hydroxymethyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    10117479 eMolecules
    14077415 PubChem
    PD125457 ProbesDrugs
    MCULE-5221489949 Mcule
    176078 ChEBI
    HMDB0029679 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.