Dataset

Nevadensin

This MassBank record with Accession MSBNK-BS-BS003644 contains the MS mass spectrum of Nevadensin with the InChIkey KRFBMPVGAYGGJE-UHFFFAOYSA-N.

InChI	InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)15(21)18(24-3)16(13)25-12/h4-8,20-21H,1-3H3
SMILES	C(OC1=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC([H])([H])[H])O[H])OC([H])([H])[H])O[H])[H])[H])[H])([H])([H])[H]
InChI Key	KRFBMPVGAYGGJE-UHFFFAOYSA-N
Molecular Formula	C18H16O7
Exact Mass	344.090 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-BS003644
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:35:54.137372
MetadataModified	2024-01-11T12:35:54.309532
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
160921	PubChem
60025333	NMRShiftDB
14977067	PubChem: Thomson Pharma
10176-66-6	ACToR
SCHEMBL2178589	SureChEMBL
PD056580	ProbesDrugs
J94.491B	Nikkaji
HMDB0255572	Human Metabolome Database
ZINC000000898952	ZINC
84985	BindingDB
CB61376759	ChemicalBook
LMPK12111442	LipidMaps
7545	ChEBI
MCULE-7781663184	Mcule
DTXSID40144174	EPA CompTox Dashboard
HY-N1377	MedChemExpress
CB5254480	ChemicalBook
MTBLC7545	Metabolights
12012728	PubChem: Drugs of the Future
CHEMBL312073	ChEMBL
C10111	KEGG Ligand
5756746	eMolecules
The data in this table is sourced from UniChem at EBI.