Dataset

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

This MassBank record with Accession MSBNK-BS-BS003856 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-BS003856
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:51.747160
MetadataModified 2024-01-11T12:35:51.898626
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C01378 KEGG Ligand
CHEMBL470267 ChEMBL
30512577 eMolecules
ZINC000001689527 ZINC
4994C1X19A FDA SRS
CB0256494 ChemicalBook
5317435 PubChem
16146517 PubChem: Thomson Pharma
PD166076 ProbesDrugs
60065990 NMRShiftDB
MTBLC228234 Metabolights
C308QR79UE FDA SRS
SCHEMBL13640269 SureChEMBL
J221.518G Nikkaji
The data in this table is sourced from UniChem at EBI.