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
ZINC000004245684 ZINC
50362886 BindingDB
60005878 NMRShiftDB
LMPK12110194 LipidMaps
HY-N0013 MedChemExpress
DTXSID90190287 EPA CompTox Dashboard
CB3119208 ChemicalBook
MTBLC16954 Metabolights
9294 Brenda
PD019025 ProbesDrugs
DB16836 DrugBank
85179586 PubChem: Thomson Pharma
3681-93-4 ACToR
9VP70K75OK FDA SRS
HMDB0301980 Human Metabolome Database
5280441 PubChem
J14.961F Nikkaji
SCHEMBL25277 SureChEMBL
C01460 KEGG Ligand
CHEMBL487417 ChEMBL
16954 ChEBI
514894 eMolecules
The data in this table is sourced from UniChem at EBI.