Dataset

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

This MassBank record with Accession MSBNK-BS-BS003044 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-BS003044
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:40:22.195822
MetadataModified	2024-01-11T12:40:22.354108
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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