Dataset

Luteolin-4'-O-glucoside

This MassBank record with Accession MSBNK-RIKEN-PR302129 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-PR302129
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:30.992940
MetadataModified 2024-01-11T20:39:31.160821
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5319116 PubChem
60028436 NMRShiftDB
15256422 PubChem: Thomson Pharma
SCHEMBL293542 SureChEMBL
LMPK12110652 LipidMaps
J330.752B Nikkaji
68986 ChEBI
ZINC000004349517 ZINC
MCULE-1465906005 Mcule
147459 Brenda
MTBLC68986 Metabolights
143511 Brenda
17637 Brenda
123347 Brenda
CHEMBL459822 ChEMBL
36554869 eMolecules
The data in this table is sourced from UniChem at EBI.