Dataset

Luteolin-4'-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR302148 contains the MS2 mass spectrum of Luteolin-4'-O-glucoside with the InChIkey UHNXUSWGOJMEFO-QNDFHXLGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)31-13-2-1-8(3-10(13)24)14-6-12(26)17-11(25)4-9(23)5-15(17)30-14/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1
SMILES OC[C@H]1O[C@@H](OC2=C(O)C=C(C=C2)C2=CC(=O)C3=C(O)C=C(O)C=C3O2)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key UHNXUSWGOJMEFO-QNDFHXLGSA-N
Molecular Formula C21H20O11
Exact Mass 448.380 g/mol

Data and Resources

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-PR302148
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:30.301603
MetadataModified 2024-01-11T20:42:30.551446
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL459822 ChEMBL
MCULE-1465906005 Mcule
J330.752B Nikkaji
68986 ChEBI
5319116 PubChem
60028436 NMRShiftDB
15256422 PubChem: Thomson Pharma
SCHEMBL293542 SureChEMBL
LMPK12110652 LipidMaps
36554869 eMolecules
123347 Brenda
143511 Brenda
17637 Brenda
147459 Brenda
ZINC000004349517 ZINC
MTBLC68986 Metabolights
The data in this table is sourced from UniChem at EBI.