Dataset

Sakuranetin

This MassBank record with Accession MSBNK-RIKEN-PR302364 contains the MS2 mass spectrum of Sakuranetin with the InChIkey DJOJDHGQRNZXQQ-AWEZNQCLSA-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/t14-/m0/s1
SMILES COC1=CC(O)=C2C(=O)C[C@H](OC2=C1)C1=CC=C(O)C=C1
InChI Key DJOJDHGQRNZXQQ-AWEZNQCLSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302364
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:40:52.343949
MetadataModified 2025-02-09T18:38:05.942754
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SAKURANETIN rxnorm
HY-N3006 MedChemExpress
MCULE-1297538743 Mcule
LMPK12140571 LipidMaps
50312648 BindingDB
412 Guide to Pharmacology
J7.652J Nikkaji
BUVNEN CCDC
ZINC000000338284 ZINC
28927 Rhea
28927 ChEBI
SAK PDBe
DB08517 DrugBank
C09833 KEGG Ligand
CHEMBL448297 ChEMBL
73571 PubChem
60022386 NMRShiftDB
26746503 PubChem: Thomson Pharma
SCHEMBL555542 SureChEMBL
PD004784 ProbesDrugs
3O38P61299 FDA SRS
163689 Brenda
84076 Brenda
52901 Brenda
170506 Brenda
HMDB0030090 Human Metabolome Database
CB6284820 ChemicalBook
MTBLC28927 Metabolights
The data in this table is sourced from UniChem at EBI.