Dataset

Flavonol base + 5O, O-Hex, O-Hex; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR309253 contains the MS2 mass spectrum of Flavonol base + 5O, O-Hex, O-Hex with the InChIkey FEWRYXXFMHQZRI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H30O18/c28-5-13-17(34)20(37)22(39)26(43-13)42-12-2-7(1-10(32)16(12)33)24-25(19(36)15-9(31)3-8(30)4-11(15)41-24)45-27-23(40)21(38)18(35)14(6-29)44-27/h1-4,13-14,17-18,20-23,26-35,37-40H,5-6H2
SMILES O=C2C(OC1OC(CO)C(O)C(O)C1(O))=C(OC3=CC(O)=CC(O)=C23)C5=CC(O)=C(O)C(OC4OC(CO)C(O)C(O)C4(O))=C5
InChI Key FEWRYXXFMHQZRI-UHFFFAOYSA-N
Molecular Formula C27H30O18
Exact Mass 642.519 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-PR309253
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 2-[3,4-dihydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-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
    14159396 PubChem
    HMDB0037850 Human Metabolome Database
    184451 ChEBI
    The data in this table is sourced from UniChem at EBI.