Dataset

Luteolin-4'-O-glucoside

This MassBank record with Accession MSBNK-BS-BS003263 contains the MS 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 C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])[H])[H])O[H])O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@]([H])(O4)C(O[H])([H])[H])O[H])O[H])O[H])[H])[H]
InChI Key UHNXUSWGOJMEFO-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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003263
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:37:37.310505
MetadataModified 2024-01-11T12:37:37.480185
MetadataPublished 2017-12-01
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.