Dataset

isorhamnetin

This MassBank record with Accession MSBNK-RIKEN-PR301907 contains the MS2 mass spectrum of isorhamnetin with the InChIkey IZQSVPBOUDKVDZ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3
SMILES	COC1=C(O)C=CC(=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1
InChI Key	IZQSVPBOUDKVDZ-UHFFFAOYSA-N
Molecular Formula	C16H12O7
Exact Mass	316.265 g/mol

Data and Resources

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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-RIKEN-PR301907
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:05:44.863804
MetadataModified	2025-02-09T18:27:36.781726
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C10084	KEGG Ligand
CHEMBL379064	ChEMBL
IRH	PDBe
91275	Brenda
J1.543A	Nikkaji
ZINC000000517261	ZINC
LMPK12110002	LipidMaps
DTXSID10197379	EPA CompTox Dashboard
HY-N0776	MedChemExpress
248238	Brenda
248240	Brenda
23409	BindingDB
1935869	eMolecules
5281654	PubChem
14923619	PubChem: Thomson Pharma
60018754	NMRShiftDB
PD018337	ProbesDrugs
SCHEMBL19235	SureChEMBL
480-19-3	ACToR
6052	ChEBI
DB16767	DrugBank
07X3IB4R4Z	FDA SRS
CB0472359	ChemicalBook
MTBLC6052	Metabolights
HMDB0002655	Human Metabolome Database
1977	Brenda
21926	Brenda
163963	Brenda
The data in this table is sourced from UniChem at EBI.