Dataset

6,8-Diprenylnaringenin

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

Chemical Info

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
MetadataCreated 2024-01-11T12:36:25.089390
MetadataModified 2024-01-11T12:36:25.286346
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL477969 ChEMBL
C09724 KEGG Ligand
ZINC000003873159 ZINC
DTXSID20218408 EPA CompTox Dashboard
2156 ChEBI
LMPK12140276 LipidMaps
MTBLC2156 Metabolights
124035 PubChem
60025267 NMRShiftDB
14781733 PubChem: Thomson Pharma
68236-11-3 ACToR
SCHEMBL144277 SureChEMBL
J607.242I Nikkaji
The data in this table is sourced from UniChem at EBI.