Dataset

3,6,2',3'-Tetrahydroxyflavone

This MassBank record with Accession MSBNK-BS-BS003454 contains the MS2 mass spectrum of 3,6,2',3'-Tetrahydroxyflavone with the InChIkey KQRPHHDERPYSPX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O6/c16-7-4-5-11-9(6-7)13(19)14(20)15(21-11)8-2-1-3-10(17)12(8)18/h1-6,16-18,20H
SMILES C1=C(C=C2C(=C1)OC(=C(C2=O)O)C3=CC=CC(=C3O)O)O
InChI Key KQRPHHDERPYSPX-UHFFFAOYSA-N
Molecular Formula C15H10O6
Exact Mass 286.048 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-BS-BS003454
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:57.232960
MetadataModified 2024-01-11T12:33:57.411165
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16594869 PubChem: Thomson Pharma
688828 PubChem
SCHEMBL505415 SureChEMBL
MCULE-3497363327 Mcule
DTXSID90350980 EPA CompTox Dashboard
ZINC000000057875 ZINC
CHEMBL1224324 ChEMBL
4368652 eMolecules
The data in this table is sourced from UniChem at EBI.