Dataset

Ipriflavone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01759 contains the MS2 mass spectrum of Ipriflavone with the InChIkey SFBODOKJTYAUCM-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
SMILES	CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI Key	SFBODOKJTYAUCM-UHFFFAOYSA-N
Molecular Formula	C18H16O3
Exact Mass	280.110 g/mol

Data and Resources

IpriflavoneHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01759
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:26:53.204153
MetadataModified	2024-01-11T22:26:53.392067
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
12013104	PubChem: Drugs of the Future
CHEMBL165790	ChEMBL
SAM001246714	NIH Clinical Collection
503153	eMolecules
31719	ChEBI
MCULE-4241728982	Mcule
ZUHTIF	CCDC
J19.468I	Nikkaji
20209011	NMRShiftDB
3747	PubChem
PD002503	ProbesDrugs
80BJ7WN25Z	FDA SRS
LSM-5981	LINCS
14873001	PubChem: Thomson Pharma
35212-22-7	ACToR
ipriflavone	Selleck
SCHEMBL111472	SureChEMBL
43662	BindingDB
IPRIFLAVONE	rxnorm
ZINC000000004016	ZINC
DTXSID5040679	EPA CompTox Dashboard
1477	DrugCentral
HY-N0094	MedChemExpress
DB13618	DrugBank
HMDB0032987	Human Metabolome Database
CB0698496	ChemicalBook
The data in this table is sourced from UniChem at EBI.