Dataset

Chrysin

This MassBank record with Accession MSBNK-Fiocruz-FIO00028 contains the MS2 mass spectrum of Chrysin with the InChIkey RTIXKCRFFJGDFG-UHFFFAOYSA-N.

Chemical Info

molecular Image
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 Oc(c3)cc(O1)c(c(O)3)C(=O)C=C(c(c2)cccc2)1
InChI Key RTIXKCRFFJGDFG-UHFFFAOYSA-N
Molecular Formula C15H10O4
Exact Mass 254.058 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00028
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:37:30.210002
MetadataModified 2024-01-11T16:37:30.398712
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
7461 BindingDB
IYIWIY CCDC
236287 Brenda
229274 Brenda
229275 Brenda
J1.544J Nikkaji
CHRYSIN rxnorm
DB15581 DrugBank
ZINC000003872070 ZINC
LMPK12110189 LipidMaps
DTXSID1022396 EPA CompTox Dashboard
HY-14589 MedChemExpress
8789 Guide to Pharmacology
14167 Brenda
155312 Brenda
HMDB0036619 Human Metabolome Database
CB7312472 ChemicalBook
136571 Brenda
MTBLC75095 Metabolights
3522 Brenda
1727 Brenda
493608 eMolecules
15441005 PubChem: Thomson Pharma
75095 ChEBI
60022375 NMRShiftDB
Chrysin Selleck
3CN01F5ZJ5 FDA SRS
LSM-6566 LINCS
480-40-0 ACToR
SCHEMBL44474 SureChEMBL
PD001621 ProbesDrugs
MCULE-7719714939 Mcule
5281607 PubChem
The data in this table is sourced from UniChem at EBI.