Dataset

isosakuranetin

This MassBank record with Accession MSBNK-RIKEN-PR302276 contains the MS2 mass spectrum of isosakuranetin with the InChIkey HMUJXQRRKBLVOO-AWEZNQCLSA-N.

Chemical Info

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	COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1
InChI Key	HMUJXQRRKBLVOO-AWEZNQCLSA-N
Molecular Formula	C16H14O5
Exact Mass	286.283 g/mol

Data and Resources

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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-PR302276
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:38:41.246944
MetadataModified	2024-01-11T20:38:41.407600
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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