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	2025-02-09T08:53:35.178809
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C10105	KEGG Ligand
CHEMBL28626	ChEMBL
1145	Brenda
MRI	PDBe
LSM-36988	LINCS
DTXSID1022398	EPA CompTox Dashboard
LMPK12112517	LipidMaps
411	Guide to Pharmacology
J1.542C	Nikkaji
PILCES	CCDC
26658	BindingDB
60005545	NMRShiftDB
HY-N0621	MedChemExpress
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
529292	eMolecules
ZINC000003881558	ZINC
156714	Brenda
HMDB0030796	Human Metabolome Database
CB0316037	ChemicalBook
MTBLC75092	Metabolights
MCULE-2387347344	Mcule
The data in this table is sourced from UniChem at EBI.