Dataset

Luteolin-7-glucoside

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00114 contains the MS2 mass spectrum of Luteolin-7-glucoside with the InChIkey PEFNSGRTCBGNAN-QNDFHXLGSA-N.

Chemical Info

molecular Image
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

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-BML00114
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:19.000317
MetadataModified 2024-01-11T22:28:19.164595
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.