Dataset

Chrysin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01063 contains the MS2 mass spectrum of Chrysin with the InChIkey RTIXKCRFFJGDFG-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
SMILES	C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI Key	RTIXKCRFFJGDFG-UHFFFAOYSA-N
Molecular Formula	C15H10O4
Exact Mass	254.058 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-BML01063
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:26:40.490979
MetadataModified	2024-01-11T22:26:40.660372
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
57D	PDBe
CHEMBL117	ChEMBL
56310592	PubChem: Drugs of the Future
C10028	KEGG Ligand
8789	Guide to Pharmacology
DTXSID1022396	EPA CompTox Dashboard
LMPK12110189	LipidMaps
ZINC000003872070	ZINC
7461	BindingDB
229274	Brenda
229275	Brenda
CHRYSIN	rxnorm
DB15581	DrugBank
HY-14589	MedChemExpress
236287	Brenda
1727	Brenda
3522	Brenda
MTBLC75095	Metabolights
136571	Brenda
493608	eMolecules
155312	Brenda
14167	Brenda
CB7312472	ChemicalBook
HMDB0036619	Human Metabolome Database
15441005	PubChem: Thomson Pharma
75095	ChEBI
60022375	NMRShiftDB
Chrysin	Selleck
3CN01F5ZJ5	FDA SRS
LSM-6566	LINCS
480-40-0	ACToR
SCHEMBL44474	SureChEMBL
PD001621	ProbesDrugs
J1.544J	Nikkaji
MCULE-7719714939	Mcule
5281607	PubChem
IYIWIY	CCDC
The data in this table is sourced from UniChem at EBI.