Dataset

Chrysin

This MassBank record with Accession MSBNK-Fiocruz-FIO00027 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-FIO00027
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:36:05.931200
MetadataModified 2024-01-11T16:36:06.107402
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.