Dataset

isosakuranetin

This MassBank record with Accession MSBNK-RIKEN-PR305957 contains the MS2 mass spectrum of isosakuranetin with the InChIkey HMUJXQRRKBLVOO-UHFFFAOYSA-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
SMILES COC1=CC=C(C=C1)C1CC(=O)C2=C(O)C=C(O)C=C2O1
InChI Key HMUJXQRRKBLVOO-UHFFFAOYSA-N
Molecular Formula C16H14O5
Exact Mass 286.283 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-RIKEN-PR305957
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:17.391871
MetadataModified 2024-01-11T20:42:17.554468
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4368313 eMolecules
193496 ChEBI
15369347 PubChem: Thomson Pharma
PD087678 ProbesDrugs
70029406 NMRShiftDB
SCHEMBL5067423 SureChEMBL
HMDB0253690 Human Metabolome Database
J367.539D Nikkaji
5118250 PubChem
CB5141311 ChemicalBook
30100 Brenda
CHEMBL485252 ChEMBL
243062 BindingDB
MCULE-9439004515 Mcule
The data in this table is sourced from UniChem at EBI.