Dataset

3,7,3',4',5'-Pentahydroxyflavone (Robinetin)

This MassBank record with Accession MSBNK-BS-BS003431 contains the MS2 mass spectrum of 3,7,3',4',5'-Pentahydroxyflavone (Robinetin) with the InChIkey SOEDEYVDCDYMMH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O7/c16-7-1-2-8-11(5-7)22-15(14(21)12(8)19)6-3-9(17)13(20)10(18)4-6/h1-5,16-18,20-21H
SMILES C1(=C(C2=C(C(=C1O[H])[H])OC(=C(C2=O)O[H])C3=C(C(=C(C(=C3[H])O[H])O[H])O[H])[H])[H])[H]
InChI Key SOEDEYVDCDYMMH-UHFFFAOYSA-N
Molecular Formula C15H10O7
Exact Mass 302.043 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-BS003431
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:26.050336
MetadataModified 2024-01-11T12:35:26.207509
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
PD158065 ProbesDrugs
LKR PDBe
60064753 NMRShiftDB
14825314 PubChem: Thomson Pharma
SCHEMBL217743 SureChEMBL
490-31-3 ACToR
5281692 PubChem
J1.551B Nikkaji
MCULE-2330347941 Mcule
KJ6DBC4U7E FDA SRS
19469 Brenda
ZINC000004098600 ZINC
MTBLC8876 Metabolights
CB3740354 ChemicalBook
LMPK12111577 LipidMaps
50033767 BindingDB
DTXSID30197654 EPA CompTox Dashboard
HY-N1347 MedChemExpress
8876 ChEBI
CHEMBL170405 ChEMBL
C10177 KEGG Ligand
776431 eMolecules
The data in this table is sourced from UniChem at EBI.