Dataset

Phloretin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00585 contains the MS2 mass spectrum of Phloretin with the InChIkey VGEREEWJJVICBM-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
SMILES	C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O)O)O
InChI Key	VGEREEWJJVICBM-UHFFFAOYSA-N
Molecular Formula	C15H14O5
Exact Mass	274.084 g/mol

Data and Resources

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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-BML00585
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:26:48.473910
MetadataModified	2024-01-11T22:26:48.653369
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-3672992389	Mcule
20123979	NMRShiftDB
J4.808I	Nikkaji
4285	Guide to Pharmacology
CIMDUB	CCDC
4788	PubChem
PD002003	ProbesDrugs
S5J5OE47MK	FDA SRS
LSM-6221	LINCS
14750659	PubChem: Thomson Pharma
60-82-2	ACToR
Phloretin(Dihydronaringenin)	Selleck
SCHEMBL38131	SureChEMBL
ZINC000000047553	ZINC
23446	BindingDB
107644	Brenda
PHLORETIN	rxnorm
HY-N0142	MedChemExpress
234443	Brenda
233935	Brenda
DTXSID6022393	EPA CompTox Dashboard
LMPK12120525	LipidMaps
CB4161608	ChemicalBook
MTBLC17276	Metabolights
155332	Brenda
HMDB0003306	Human Metabolome Database
17276	Rhea
1762	Brenda
530473	eMolecules
CHEMBL45068	ChEMBL
C00774	KEGG Ligand
DB07810	DrugBank
81044353	PubChem: Drugs of the Future
G50	PDBe
17276	ChEBI
The data in this table is sourced from UniChem at EBI.