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
Explore
- More information
- Go to resource

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