Dataset

6-Hydroxyflavanone

This MassBank record with Accession MSBNK-BS-BS003575 contains the MS2 mass spectrum of 6-Hydroxyflavanone with the InChIkey XYHWPQUEOOBIOW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-8,15-16H,9H2
SMILES C1(C(OC2=C(C1=O)C(=C(C(=C2[H])[H])O[H])[H])(C3=C(C(=C(C(=C3[H])[H])[H])[H])[H])[H])([H])[H]
InChI Key XYHWPQUEOOBIOW-UHFFFAOYSA-N
Molecular Formula C15H12O3
Exact Mass 240.079 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-BS003575
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:04.431321
MetadataModified 2025-02-09T08:49:38.531017
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC34471 Metabolights
136192 Brenda
20209224 NMRShiftDB
MCULE-2424476488 Mcule
SCHEMBL126598 SureChEMBL
2734580 PubChem
16095762 PubChem: Thomson Pharma
4250-77-5 ACToR
506592 eMolecules
C14221 KEGG Ligand
CHEMBL195033 ChEMBL
34471 ChEBI
CB1709715 ChemicalBook
DTXSID1022429 EPA CompTox Dashboard
J285.121K Nikkaji
50296861 BindingDB
1F174812MP FDA SRS
The data in this table is sourced from UniChem at EBI.