Dataset

3,7,3',4'-Tetrahydroxyflavanone (Fustin)

This MassBank record with Accession MSBNK-BS-BS003854 contains the MS2 mass spectrum of 3,7,3',4'-Tetrahydroxyflavanone (Fustin) with the InChIkey FNUPUYFWZXZMIE-LSDHHAIUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1
SMILES C1=CC(=C(C=C1[C@@H]2[C@H](C(=O)C3=C(O2)C=C(C=C3)O)O)O)O
InChI Key FNUPUYFWZXZMIE-LSDHHAIUSA-N
Molecular Formula C15H12O6
Exact Mass 288.063 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-BS003854
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:39:49.935859
MetadataModified 2025-02-09T08:50:55.046703
MetadataPublished 2017-12-01
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4994C1X19A FDA SRS
ZINC000001689527 ZINC
MTBLC228234 Metabolights
C308QR79UE FDA SRS
J221.518G Nikkaji
CB0256494 ChemicalBook
CHEMBL470267 ChEMBL
C01378 KEGG Ligand
SCHEMBL13640269 SureChEMBL
5317435 PubChem
16146517 PubChem: Thomson Pharma
PD166076 ProbesDrugs
60065990 NMRShiftDB
30512577 eMolecules
The data in this table is sourced from UniChem at EBI.