Dataset

Biflavonoid-flavone base + 3O and flavanone base + 2O + 1MeO; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR309381 contains the MS2 mass spectrum of Biflavonoid-flavone base + 3O and flavanone base + 2O + 1MeO with the InChIkey XMFILYNCNQOLOA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C31H22O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-11,13,26,32-36H,12H2,1H3
SMILES O=C1C=C(OC2=C1C(O)=CC(O)=C2C3=CC(=CC=C3(O))C4OC=5C=C(OC)C=C(O)C=5(C(=O)C4))C6=CC=C(O)C=C6
InChI Key XMFILYNCNQOLOA-UHFFFAOYSA-N
Molecular Formula C31H22O10
Exact Mass 554.507 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-PR309381
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MetadataPublished 2019-03-28
Related Molecule
  • 5,7-dihydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    46841213 PubChem
    99228018 PubChem: Thomson Pharma
    60032236 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.