Dataset

Morin

This MassBank record with Accession MSBNK-BS-BS003339 contains the MS2 mass spectrum of Morin with the InChIkey YXOLAZRVSSWPPT-UHFFFAOYSA-N.

InChI	InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
SMILES	C1(=C(C(=C(C(=C1O[H])[H])O[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])[H]
InChI Key	YXOLAZRVSSWPPT-UHFFFAOYSA-N
Molecular Formula	C15H10O7
Exact Mass	302.043 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003339
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:33:11.593443
MetadataModified	2024-01-11T12:33:11.753399
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL28626	ChEMBL
C10105	KEGG Ligand
529292	eMolecules
5281670	PubChem
PD001327	ProbesDrugs
DB16770	DrugBank
8NFQ3F76WR	FDA SRS
75092	ChEBI
480-16-0	ACToR
SCHEMBL19984	SureChEMBL
14776187	PubChem: Thomson Pharma
11128-85-1	ACToR
J1.542C	Nikkaji
MCULE-2387347344	Mcule
411	Guide to Pharmacology
PILCES	CCDC
HY-N0621	MedChemExpress
LSM-36988	LINCS
MRI	PDBe
1145	Brenda
DTXSID1022398	EPA CompTox Dashboard
60005545	NMRShiftDB
LMPK12112517	LipidMaps
ZINC000003881558	ZINC
26658	BindingDB
HMDB0030796	Human Metabolome Database
CB0316037	ChemicalBook
MTBLC75092	Metabolights
156714	Brenda
The data in this table is sourced from UniChem at EBI.