Dataset

Isosakuranetin

This MassBank record with Accession MSBNK-BS-BS003555 contains the MS2 mass spectrum of Isosakuranetin with the InChIkey HMUJXQRRKBLVOO-AWEZNQCLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
SMILES C(OC1=C(C(=C(C(=C1[H])[H])C2(C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])([H])[H])[H])[H])[H])([H])([H])[H]
InChI Key HMUJXQRRKBLVOO-AWEZNQCLSA-N
Molecular Formula C16H14O5
Exact Mass 286.084 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-BS003555
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:40.294835
MetadataModified 2024-01-11T12:36:40.479518
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1935877 eMolecules
C05334 KEGG Ligand
CHEMBL470266 ChEMBL
248297 Brenda
IHAGUW CCDC
U02X7TF8UA FDA SRS
J12.391I Nikkaji
160481 PubChem
60022385 NMRShiftDB
SCHEMBL676015 SureChEMBL
480-43-3 ACToR
27552 ChEBI
PD078842 ProbesDrugs
LMPK12140355 LipidMaps
ZINC000002146973 ZINC
MCULE-6964743359 Mcule
HY-N2131 MedChemExpress
50325673 BindingDB
10299 Guide to Pharmacology
MTBLC27552 Metabolights
The data in this table is sourced from UniChem at EBI.