Dataset

Isovitexin

This MassBank record with Accession MSBNK-Fiocruz-FIO00756 contains the MS2 mass spectrum of Isovitexin with the InChIkey MYXNWGACZJSMBT-VJXVFPJBSA-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/t14-,17-,19+,20-,21+/m1/s1
SMILES OC[C@H]([C@@H](O)4)O[C@H]([C@H](O)[C@@H](O)4)c(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)ccc(O)c2)c1
InChI Key MYXNWGACZJSMBT-VJXVFPJBSA-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00756
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:39:41.075532
MetadataModified 2024-01-11T16:39:41.250495
MetadataPublished 2016-01-19
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
CB8708575 ChemicalBook
12571 Brenda
MTBLC18330 Metabolights
MolPort-020-005-945 MolPort
CHEMBL465360 ChEMBL
18330 ChEBI
C01714 KEGG Ligand
1935879 eMolecules
SCHEMBL513620 SureChEMBL
KTQ9R9MS0Q FDA SRS
J16.502F Nikkaji
HY-N0773 MedChemExpress
50486938 BindingDB
60005880 NMRShiftDB
LMPK12110338 LipidMaps
ZINC000004095704 ZINC
The data in this table is sourced from UniChem at EBI.