Dataset

8-Prenylnaringenin

This MassBank record with Accession MSBNK-BS-BS003003 contains the MS2 mass spectrum of 8-Prenylnaringenin with the InChIkey LPEPZZAVFJPLNZ-SFHVURJKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1
SMILES C(C(=C(C(C1=C(C(=C(C2=C1O[C@@]([H])(C(C2=O)([H])[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])O[H])[H])O[H])([H])[H])[H])C([H])([H])[H])([H])([H])[H]
InChI Key LPEPZZAVFJPLNZ-SFHVURJKSA-N
Molecular Formula C20H20O5
Exact Mass 340.131 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-BS003003
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:11.714611
MetadataModified 2024-01-11T12:35:11.864716
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C18023 KEGG Ligand
CHEMBL376915 ChEMBL
50207 ChEBI
480764 PubChem
14753666 PubChem: Thomson Pharma
14802354 PubChem: Thomson Pharma
PD017477 ProbesDrugs
53846-50-7 ACToR
60024542 NMRShiftDB
SCHEMBL1171435 SureChEMBL
J607.005A Nikkaji
19460 BindingDB
ZINC000000039452 ZINC
DTXSID60333083 EPA CompTox Dashboard
HY-N2787 MedChemExpress
50207 Rhea
MTBLC50207 Metabolights
36475 Brenda
5L872SZR8X FDA SRS
36257 Brenda
38034 Brenda
135999 Brenda
The data in this table is sourced from UniChem at EBI.