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

molecular Image
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

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 2025-02-09T08:48:01.364273
MetadataPublished 2017-12-01
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
23212 Brenda
19823 Brenda
57431 Brenda
88156 Brenda
57491 Brenda
56438 Brenda
3233 Brenda
17948 Rhea
CB0402424 ChemicalBook
CB7402423 ChemicalBook
ZINC000100018343 ZINC
MTBLC17948 Metabolights
68720 Brenda
SCHEMBL39786 SureChEMBL
MCULE-2394173874 Mcule
MCULE-2692728789 Mcule
439533 PubChem
60022338 NMRShiftDB
PD002853 ProbesDrugs
9SOB9E3987 FDA SRS
LSM-5990 LINCS
49840180 PubChem: Thomson Pharma
530749 eMolecules
CHEMBL66 ChEMBL
DB02224 DrugBank
C01617 KEGG Ligand
DQH PDBe
17948 ChEBI
SAM001246778 NIH Clinical Collection
J90.394I Nikkaji
LMPK12140721 LipidMaps
212435 BindingDB
HMDB0303943 Human Metabolome Database
DTXSID8022450 EPA CompTox Dashboard
HY-N0136 MedChemExpress
EAS93SC1VS FDA SRS
OKEFES CCDC
CB3426348 ChemicalBook
33019 Brenda
The data in this table is sourced from UniChem at EBI.