Dataset

Vitexin

This MassBank record with Accession MSBNK-BS-BS003309 contains the MS2 mass spectrum of Vitexin with the InChIkey SGEWCQFRYRRZDC-VPRICQMDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1
SMILES C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(O2)C(=C(C(=C3O[H])[H])O[H])[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])[H])O[H])[H])[H]
InChI Key SGEWCQFRYRRZDC-VPRICQMDSA-N
Molecular Formula C21H20O10
Exact Mass 432.106 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-BS003309
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:30.753872
MetadataModified 2024-01-11T12:34:30.917419
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
50362886 BindingDB
SCHEMBL25277 SureChEMBL
5280441 PubChem
J14.961F Nikkaji
HMDB0301980 Human Metabolome Database
60005878 NMRShiftDB
LMPK12110194 LipidMaps
DTXSID90190287 EPA CompTox Dashboard
HY-N0013 MedChemExpress
ZINC000004245684 ZINC
PD019025 ProbesDrugs
DB16836 DrugBank
85179586 PubChem: Thomson Pharma
3681-93-4 ACToR
9VP70K75OK FDA SRS
CB3119208 ChemicalBook
MTBLC16954 Metabolights
9294 Brenda
MolPort-003-935-138 MolPort
C01460 KEGG Ligand
CHEMBL487417 ChEMBL
16954 ChEBI
514894 eMolecules
The data in this table is sourced from UniChem at EBI.