Dataset

6,8-Diprenylnaringenin; LC-ESI-QTOF; MS2; CE:20 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003077 contains the MS2 mass spectrum of 6,8-Diprenylnaringenin with the InChIkey HCNLDGTUMBOHKT-NRFANRHFSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H28O5/c1-14(2)5-11-18-23(28)19(12-6-15(3)4)25-22(24(18)29)20(27)13-21(30-25)16-7-9-17(26)10-8-16/h5-10,21,26,28-29H,11-13H2,1-4H3/t21-/m0/s1
SMILES O=C1C=2C(O[C@]([H])(C=3C(=C(C(O[H])=C(C3[H])[H])[H])[H])C1([H])[H])=C(C(O[H])=C(C2O[H])C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H])C(C(=C(C([H])([H])[H])C([H])([H])[H])[H])([H])[H]
InChI Key HCNLDGTUMBOHKT-NRFANRHFSA-N
Molecular Formula C25H28O5
Exact Mass 408.194 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-BS-BS003077
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL477969 ChEMBL
    C09724 KEGG Ligand
    J607.242I Nikkaji
    2156 ChEBI
    DTXSID20218408 EPA CompTox Dashboard
    LMPK12140276 LipidMaps
    ZINC000003873159 ZINC
    MTBLC2156 Metabolights
    124035 PubChem
    60025267 NMRShiftDB
    14781733 PubChem: Thomson Pharma
    68236-11-3 ACToR
    SCHEMBL144277 SureChEMBL
    The data in this table is sourced from UniChem at EBI.