Dataset

Luteolin-7-glucoside

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00126 contains the MS2 mass spectrum of Luteolin-7-glucoside with the InChIkey PEFNSGRTCBGNAN-QNDFHXLGSA-N.

Chemical Info

InChI	InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
SMILES	C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O
InChI Key	PEFNSGRTCBGNAN-QNDFHXLGSA-N
Molecular Formula	C21H20O11
Exact Mass	448.101 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00126
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:27:58.523223
MetadataModified	2024-01-11T22:27:58.711875
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL233929	ChEMBL
27994	ChEBI
12015660	PubChem: Drugs of the Future
C03951	KEGG Ligand
1935910	eMolecules
35875945	eMolecules
5280637	PubChem
60018816	NMRShiftDB
15082528	PubChem: Thomson Pharma
26811-41-6	ACToR
5373-11-5	ACToR
PD063636	ProbesDrugs
98J6XDS46I	FDA SRS
SCHEMBL149118	SureChEMBL
50241242	BindingDB
MCULE-8191036162	Mcule
229321	Brenda
ZINC000004096258	ZINC
241955	Brenda
LMPK12113403	LipidMaps
HY-N0540	MedChemExpress
CB4369516	ChemicalBook
HMDB0035588	Human Metabolome Database
55908	Brenda
32671	Brenda
12809	Brenda
29650	Brenda
165116	Brenda
18642	Brenda
17638	Brenda
56649	Brenda
3645	Brenda
66408	Brenda
115984	Brenda
96055	Brenda
MTBLC27994	Metabolights
123348	Brenda
141760	Brenda
J94.450E	Nikkaji
The data in this table is sourced from UniChem at EBI.