Dataset

Taxifolin (3,3',4',5,7-pentahydroxylflavanone)

This MassBank record with Accession MSBNK-BS-BS003045 contains the MS2 mass spectrum of Taxifolin (3,3',4',5,7-pentahydroxylflavanone) with the InChIkey CXQWRCVTCMQVQX-LSDHHAIUSA-N.

Chemical Info

InChI	InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
SMILES	C1(=C(C(=C(C(=C1[C@]2([H])[C@]([H])(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])O[H])O[H])[H])[H]
InChI Key	CXQWRCVTCMQVQX-LSDHHAIUSA-N
Molecular Formula	C15H12O7
Exact Mass	304.058 g/mol

Data and Resources

Taxifolin (3,3',4',5,7-pentahydroxylflavanone)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-BS003045
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:37:29.209950
MetadataModified	2024-01-11T12:37:29.381811
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
212435	BindingDB
LMPK12140721	LipidMaps
HY-N0136	MedChemExpress
EAS93SC1VS	FDA SRS
DTXSID8022450	EPA CompTox Dashboard
MTBLC17948	Metabolights
68720	Brenda
33019	Brenda
ZINC000100018343	ZINC
3233	Brenda
CB3426348	ChemicalBook
57491	Brenda
CB0402424	ChemicalBook
56438	Brenda
57431	Brenda
17948	Rhea
CB7402423	ChemicalBook
23212	Brenda
19823	Brenda
88156	Brenda
SCHEMBL39786	SureChEMBL
MCULE-2692728789	Mcule
MCULE-2394173874	Mcule
OKEFES	CCDC
HMDB0303943	Human Metabolome Database
J90.394I	Nikkaji
439533	PubChem
60022338	NMRShiftDB
PD002853	ProbesDrugs
9SOB9E3987	FDA SRS
LSM-5990	LINCS
49840180	PubChem: Thomson Pharma
CHEMBL66	ChEMBL
DB02224	DrugBank
DQH	PDBe
SAM001246778	NIH Clinical Collection
17948	ChEBI
C01617	KEGG Ligand
530749	eMolecules
The data in this table is sourced from UniChem at EBI.