Dataset

isorhamnetin-3-glucoside-4'-glucoside (Isorhamnetin 3,4'-diglucoside); LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR306752 contains the MS2 mass spectrum of isorhamnetin-3-glucoside-4'-glucoside (Isorhamnetin 3,4'-diglucoside) with the InChIkey VKVBSQRURLRCHO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C28H32O17/c1-40-13-4-9(2-3-12(13)42-27-23(38)21(36)18(33)15(7-29)43-27)25-26(20(35)17-11(32)5-10(31)6-14(17)41-25)45-28-24(39)22(37)19(34)16(8-30)44-28/h2-6,15-16,18-19,21-24,27-34,36-39H,7-8H2,1H3
SMILES COC1=C(OC2OC(CO)C(O)C(O)C2O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI Key VKVBSQRURLRCHO-UHFFFAOYSA-N
Molecular Formula C28H32O17
Exact Mass 640.547 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-PR306752
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 5,7-dihydroxy-2-[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    70113842 NMRShiftDB
    4786564 eMolecules
    MCULE-6868369348 Mcule
    HMDB0037374 Human Metabolome Database
    5901757 PubChem
    The data in this table is sourced from UniChem at EBI.