Dataset

Isofraxidin

This MassBank record with Accession MSBNK-RIKEN-PR307434 contains the MS2 mass spectrum of Isofraxidin with the InChIkey HOEVRHHMDJKUMZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3
SMILES COC1=C(O)C(OC)=C2OC(=O)C=CC2=C1
InChI Key HOEVRHHMDJKUMZ-UHFFFAOYSA-N
Molecular Formula C11H10O5
Exact Mass 222.196 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-PR307434
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:01.754020
MetadataModified 2024-01-11T20:41:01.913343
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL451518 ChEMBL
C17480 KEGG Ligand
874059 eMolecules
304915F056 FDA SRS
J292.917A Nikkaji
SCHEMBL3924718 SureChEMBL
HMDB0253642 Human Metabolome Database
5318565 PubChem
60022297 NMRShiftDB
14994230 PubChem: Thomson Pharma
486-21-5 ACToR
PD087672 ProbesDrugs
CB7139833 ChemicalBook
MIKZIP CCDC
DTXSID70197557 EPA CompTox Dashboard
ZINC000001573299 ZINC
81121 ChEBI
MCULE-8927053707 Mcule
HY-N0774 MedChemExpress
The data in this table is sourced from UniChem at EBI.