Dataset

Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS041411 contains the MS2 mass spectrum of Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside with the InChIkey RPMNUQRUHXIGHK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3
SMILES CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
InChI Key RPMNUQRUHXIGHK-UHFFFAOYSA-N
Molecular Formula C27H30O14
Exact Mass 578.523 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS041411
Version
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Maintainer
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MetadataPublished 2009-02-09
Related Molecule
  • 7-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL118912 SureChEMBL
    70020063 NMRShiftDB
    PD056203 ProbesDrugs
    HMDB0038848 Human Metabolome Database
    5459217 PubChem
    The data in this table is sourced from UniChem at EBI.