Dataset

Luteolin-6-C-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR301987 contains the MS2 mass spectrum of Luteolin-6-C-glucoside with the InChIkey ODBRNZZJSYPIDI-VJXVFPJBSA-N.

Chemical Info

InChI	InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
SMILES	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC(O)=C(O)C=C2)C=C1O
InChI Key	ODBRNZZJSYPIDI-VJXVFPJBSA-N
Molecular Formula	C21H20O11
Exact Mass	448.380 g/mol

Data and Resources

Luteolin-6-C-glucosideHTML
Explore
- More information
- Go to resource

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-PR301987
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:43:54.056211
MetadataModified	2024-01-11T20:43:54.213757
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL239559	ChEMBL
17965	ChEBI
C01821	KEGG Ligand
57304419	PubChem: Drugs of the Future
35875928	eMolecules
114776	PubChem
H9R	PDBe
15404522	PubChem: Thomson Pharma
PD087885	ProbesDrugs
4261-42-1	ACToR
60022754	NMRShiftDB
HMDB0301981	Human Metabolome Database
249102	Brenda
J14.555F	Nikkaji
A37342TIX1	FDA SRS
SCHEMBL23761	SureChEMBL
CB5151208	ChemicalBook
ZINC000004349262	ZINC
LMPK12110469	LipidMaps
50487756	BindingDB
HY-N0767	MedChemExpress
The data in this table is sourced from UniChem at EBI.