Dataset

Isovitexin(4)

This MassBank record with Accession MSBNK-RIKEN-PR303426 contains the MS2 mass spectrum of Isovitexin(4) with the InChIkey MYXNWGACZJSMBT-VJXVFPJBSA-N.

Chemical Info

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/t14-,17-,19+,20-,21+/m1/s1
SMILES	OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C1=C(O)C2=C(OC(=CC2=O)C2=CC=C(O)C=C2)C=C1O
InChI Key	MYXNWGACZJSMBT-VJXVFPJBSA-N
Molecular Formula	C21H20O10
Exact Mass	432.381 g/mol

Data and Resources

Isovitexin(4)HTML
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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-PR303426
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:40:16.250147
MetadataModified	2024-01-11T20:40:16.443773
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
162350	PubChem
PD087770	ProbesDrugs
14905450	PubChem: Thomson Pharma
29702-25-8	ACToR
15501741	PubChem: Thomson Pharma
38953-85-4	ACToR
KTQ9R9MS0Q	FDA SRS
SCHEMBL513620	SureChEMBL
J16.502F	Nikkaji
ZINC000004095704	ZINC
60005880	NMRShiftDB
LMPK12110338	LipidMaps
50486938	BindingDB
HY-N0773	MedChemExpress
CB8708575	ChemicalBook
MTBLC18330	Metabolights
12571	Brenda
CHEMBL465360	ChEMBL
18330	ChEBI
C01714	KEGG Ligand
1935879	eMolecules
The data in this table is sourced from UniChem at EBI.