Dataset

Eriodictyol

This MassBank record with Accession MSBNK-BS-BS003463 contains the MS2 mass spectrum of Eriodictyol with the InChIkey SBHXYTNGIZCORC-ZDUSSCGKSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1
SMILES C1(C(OC2=C(C(=C(C(=C2C1=O)O[H])[H])O[H])[H])(C3=C(C(=C(C(=C3[H])[H])O[H])O[H])[H])[H])([H])[H]
InChI Key SBHXYTNGIZCORC-ZDUSSCGKSA-N
Molecular Formula C15H12O6
Exact Mass 288.063 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-BS003463
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:24.105356
MetadataModified 2024-01-11T12:35:24.264243
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000058117 ZINC
HY-N0637 MedChemExpress
LMPK12140002 LipidMaps
50325671 BindingDB
13319 Brenda
2485 Brenda
25536 Brenda
CB5714685 ChemicalBook
DTXSID70877706 EPA CompTox Dashboard
28412 Rhea
HMDB0005810 Human Metabolome Database
56283 Brenda
155181 Brenda
7953 Brenda
16182577 PubChem: Thomson Pharma
440735 PubChem
60021690 NMRShiftDB
PD088135 ProbesDrugs
69623 Brenda
Q520486B8Y FDA SRS
552-58-9 ACToR
SCHEMBL19180 SureChEMBL
CUBLIX CCDC
J139.243C Nikkaji
CHEMBL8996 ChEMBL
ERD PDBe
C05631 KEGG Ligand
28412 ChEBI
530027 eMolecules
The data in this table is sourced from UniChem at EBI.