Dataset

Isovitexin(4)

This MassBank record with Accession MSBNK-RIKEN-PR307134 contains the MS2 mass spectrum of Isovitexin(4) with the InChIkey MYXNWGACZJSMBT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2
SMILES OCC1OC(C(O)C(O)C1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O
InChI Key MYXNWGACZJSMBT-UHFFFAOYSA-N
Molecular Formula C21H20O10
Exact Mass 432.381 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-PR307134
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:37:16.089173
MetadataModified 2025-02-09T18:28:03.120540
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1601394 ChEMBL
HMDB0253708 Human Metabolome Database
60722 BindingDB
MCULE-5243159100 Mcule
139454 ChEBI
SCHEMBL20870220 SureChEMBL
29909105 eMolecules
PD086928 ProbesDrugs
60024501 NMRShiftDB
4475102 PubChem
The data in this table is sourced from UniChem at EBI.