Dataset

Glycitein

This MassBank record with Accession MSBNK-BS-BS003687 contains the MS mass spectrum of Glycitein with the InChIkey DXYUAIFZCFRPTH-UHFFFAOYSA-N.

InChI	InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILES	C(OC1=C(C(=C2C(=C1[H])C(=O)C(=C(O2)[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key	DXYUAIFZCFRPTH-UHFFFAOYSA-N
Molecular Formula	C16H12O5
Exact Mass	284.068 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-BS003687
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:33:26.240855
MetadataModified	2025-02-09T08:48:54.617715
MetadataPublished	2017-12-01
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000005999205	ZINC
LSM-45527	LINCS
MTBLC34778	Metabolights
13662	Brenda
164082	Brenda
HMDB0005781	Human Metabolome Database
CB7253674	ChemicalBook
SCHEMBL19720	SureChEMBL
5317750	PubChem
60030482	NMRShiftDB
PD015502	ProbesDrugs
14873132	PubChem: Thomson Pharma
34778	ChEBI
40957-83-3	ACToR
92M5F28TVF	FDA SRS
2735801	eMolecules
CHEMBL513024	ChEMBL
HY-N0016	MedChemExpress
234048	Brenda
50241530	BindingDB
LMPK12050104	LipidMaps
J17.583H	Nikkaji
DTXSID40193960	EPA CompTox Dashboard
C14536	KEGG Ligand
The data in this table is sourced from UniChem at EBI.