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
HY-N2131 MedChemExpress
MCULE-6964743359 Mcule
LMPK12140355 LipidMaps
50325673 BindingDB
J12.391I Nikkaji
248297 Brenda
IHAGUW CCDC
ZINC000002146973 ZINC
C05334 KEGG Ligand
CHEMBL470266 ChEMBL
1935877 eMolecules
160481 PubChem
U02X7TF8UA FDA SRS
60022385 NMRShiftDB
PD078842 ProbesDrugs
480-43-3 ACToR
27552 ChEBI
SCHEMBL676015 SureChEMBL
10299 Guide to Pharmacology
MTBLC27552 Metabolights
The data in this table is sourced from UniChem at EBI.