Dataset

Flavone base + 1O, 2MeO, O-MalonylHex; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310960 contains the MS2 mass spectrum of Flavone base + 1O, 2MeO, O-MalonylHex with the InChIkey HOWDEROVXAADRI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C26H26O13/c1-34-13-5-3-12(4-6-13)15-10-36-16-8-18(17(35-2)7-14(16)22(15)30)38-26-25(33)24(32)23(31)19(39-26)11-37-21(29)9-20(27)28/h3-8,10,19,23-26,31-33H,9,11H2,1-2H3,(H,27,28)
SMILES O=C(O)CC(=O)OCC4OC(OC=1C=C2OC=C(C(=O)C2(=CC=1(OC)))C3=CC=C(OC)C=C3)C(O)C(O)C4(O)
InChI Key HOWDEROVXAADRI-UHFFFAOYSA-N
Molecular Formula C26H26O13
Exact Mass 546.481 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-PR310960
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Author
Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 3-oxo-3-[[3,4,5-trihydroxy-6-[6-methoxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    HMDB0039083 Human Metabolome Database
    25203699 PubChem
    191448 ChEBI
    70084964 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.