Dataset

Flavone base + 4O, C-Pen, C-Hex; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310992 contains the MS2 mass spectrum of Flavone base + 4O, C-Pen, C-Hex with the InChIkey XBGYTZHKGMCEGE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H28O15/c27-5-13-18(33)21(36)23(38)26(41-13)15-19(34)14-10(30)4-12(7-1-2-8(28)9(29)3-7)40-24(14)16(20(15)35)25-22(37)17(32)11(31)6-39-25/h1-4,11,13,17-18,21-23,25-29,31-38H,5-6H2
SMILES O=C1C=C(OC=2C1=C(O)C(=C(O)C=2C3OCC(O)C(O)C3(O))C4OC(CO)C(O)C(O)C4(O))C=5C=CC(O)=C(O)C=5
InChI Key XBGYTZHKGMCEGE-UHFFFAOYSA-N
Molecular Formula C26H28O15
Exact Mass 580.495 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-PR310992
Version
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-(3,4,5-trihydroxyoxan-2-yl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0037408 Human Metabolome Database
    3542481 PubChem
    70128229 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.