Dataset

Sakuranetin

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS086605 contains the MS2 mass spectrum of Sakuranetin with the InChIkey DJOJDHGQRNZXQQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3
SMILES COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=C(C=C3)O)O
InChI Key DJOJDHGQRNZXQQ-UHFFFAOYSA-N
Molecular Formula C16H14O5
Exact Mass 286.283 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-RIKEN_ReSpect-PS086605
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:00.329797
MetadataModified 2024-01-11T21:07:00.537139
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID10874774 EPA CompTox Dashboard
14894 Brenda
164047 Brenda
348130 PubChem
60029436 NMRShiftDB
SCHEMBL555541 SureChEMBL
PD044520 ProbesDrugs
14848962 PubChem: Thomson Pharma
2736535 eMolecules
CHEMBL74852 ChEMBL
MCULE-3240859900 Mcule
CB9284821 ChemicalBook
50049387 BindingDB
J367.540H Nikkaji
The data in this table is sourced from UniChem at EBI.