Dataset

5,3',4'-Trihydroxyflavone

This MassBank record with Accession MSBNK-BS-BS003592 contains the MS2 mass spectrum of 5,3',4'-Trihydroxyflavone with the InChIkey KXPQYWKYYDYOCQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O5/c16-9-5-4-8(6-11(9)18)14-7-12(19)15-10(17)2-1-3-13(15)20-14/h1-7,16-18H
SMILES C1=CC2=C(C(=C1)O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O
InChI Key KXPQYWKYYDYOCQ-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.053 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-BS003592
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:38:52.705740
MetadataModified 2024-01-11T12:38:52.893861
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J1.581.950B Nikkaji
ZINC000000039317 ZINC
6BK PDBe
DTXSID00173602 EPA CompTox Dashboard
SCHEMBL3817277 SureChEMBL
MCULE-9735301384 Mcule
88281 PubChem
19852-25-6 ACToR
14942126 PubChem: Thomson Pharma
CHEMBL243677 ChEMBL
4368684 eMolecules
The data in this table is sourced from UniChem at EBI.