Dataset

Isofraxidin

This MassBank record with Accession MSBNK-RIKEN-PR307432 contains the MS2 mass spectrum of Isofraxidin with the InChIkey HOEVRHHMDJKUMZ-UHFFFAOYSA-N.

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

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307432
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:56:45.309377
MetadataModified	2025-02-09T18:33:46.981098
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
HY-N0774	MedChemExpress
81121	ChEBI
MCULE-8927053707	Mcule
DTXSID70197557	EPA CompTox Dashboard
ZINC000001573299	ZINC
J292.917A	Nikkaji
HMDB0253642	Human Metabolome Database
MIKZIP	CCDC
CHEMBL451518	ChEMBL
C17480	KEGG Ligand
5318565	PubChem
60022297	NMRShiftDB
14994230	PubChem: Thomson Pharma
486-21-5	ACToR
PD087672	ProbesDrugs
874059	eMolecules
SCHEMBL3924718	SureChEMBL
304915F056	FDA SRS
CB7139833	ChemicalBook
The data in this table is sourced from UniChem at EBI.