Dataset

Eleutheroside E; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR308062 contains the MS2 mass spectrum of Eleutheroside E with the InChIkey FFDULTAFAQRACT-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3
SMILES COC1=CC(=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1
InChI Key FFDULTAFAQRACT-UHFFFAOYSA-N
Molecular Formula C34H46O18
Exact Mass 742.724 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-PR308062
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MetadataPublished 2019-03-28
Related Molecule
  • 2-[4-[6-[3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0036410 Human Metabolome Database
    226371 PubChem
    PD056692 ProbesDrugs
    70127841 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.