Dataset

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

This MassBank record with Accession MSBNK-BS-BS003430 contains the MS2 mass spectrum of 3,7,3',4',5'-Pentahydroxyflavone (Robinetin) with the InChIkey SOEDEYVDCDYMMH-UHFFFAOYSA-N.

Chemical Info

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

3,7,3',4',5'-Pentahydroxyflavone (Robinetin)HTML
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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-BS003430
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:34:13.252396
MetadataModified	2024-01-11T12:34:13.419038
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.