Dataset

beta-Rhamnocitrin, Quercetin 7-methyl ether, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS041001 contains the MS2 mass spectrum of beta-Rhamnocitrin, Quercetin 7-methyl ether, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone with the InChIkey JGUZGNYPMHHYRK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
SMILES COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
InChI Key JGUZGNYPMHHYRK-UHFFFAOYSA-N
Molecular Formula C16H12O7
Exact Mass 316.265 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS041001
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:29:20.513597
MetadataModified 2025-02-09T19:06:05.756583
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
74992 ChEBI
60022371 NMRShiftDB
DB16772 DrugBank
14825917 PubChem: Thomson Pharma
71803L5F4S FDA SRS
LSM-2821 LINCS
90-19-7 ACToR
PD044105 ProbesDrugs
485764 eMolecules
50590 Brenda
MTBLC74992 Metabolights
CB0730880 ChemicalBook
ZINC000003875620 ZINC
40201 Brenda
6589 Brenda
5281691 PubChem
SCHEMBL555118 SureChEMBL
C10176 KEGG Ligand
CHEMBL312163 ChEMBL
23410 BindingDB
248522 Brenda
J3.912H Nikkaji
248274 Brenda
LMPK12112624 LipidMaps
HY-N7036 MedChemExpress
DTXSID40237979 EPA CompTox Dashboard
J8G PDBe
The data in this table is sourced from UniChem at EBI.