Dataset

3,4',5,7-tetrahydroxy-3'-methoxy flavone, Isorhamnetol, Tamarixetin, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methoxyquercetin, Isorhamnetin, 3-Methylquercetin, Isor

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS040102 contains the MS2 mass spectrum of 3,4',5,7-tetrahydroxy-3'-methoxy flavone, Isorhamnetol, Tamarixetin, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methoxyquercetin, Isorhamnetin, 3-Methylquercetin, Isor with the InChIkey IZQSVPBOUDKVDZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
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(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
InChI Key IZQSVPBOUDKVDZ-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-PS040102
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:38:48.634032
MetadataModified 2025-02-09T19:05:44.958182
MetadataPublished 2009-02-09
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.