Dataset

(-)-Epicatechin

This MassBank record with Accession MSBNK-RIKEN-PR306419 contains the MS2 mass spectrum of (-)-Epicatechin with the InChIkey PFTAWBLQPZVEMU-UKRRQHHQSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
SMILES C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI Key PFTAWBLQPZVEMU-UKRRQHHQSA-N
Molecular Formula C15H14O6
Exact Mass 290.271 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-RIKEN-PR306419
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:20.452476
MetadataModified 2024-01-11T20:41:20.620821
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
72276 PubChem
15492548 PubChem: Thomson Pharma
60021291 NMRShiftDB
PD002152 ProbesDrugs
L-EPICATECHIN clinicaltrials
90 ChEBI
34PHS7TU43 FDA SRS
LSM-20956 LINCS
2545-08-6 ACToR
504042 eMolecules
CB0454852 ChemicalBook
HMDB0001871 Human Metabolome Database
DB12039 DrugBank
42738 Brenda
1846 Brenda
93808 Brenda
30120 Brenda
28E PDBe
SCHEMBL19412 SureChEMBL
12013810 PubChem: Drugs of the Future
CHEMBL583912 ChEMBL
C09727 KEGG Ligand
J21.603H Nikkaji
23417 BindingDB
DTXSID4045133 EPA CompTox Dashboard
LMPK12020003 LipidMaps
COWHUR CCDC
ZINC000000119988 ZINC
HY-N0001 MedChemExpress
224987 Brenda
MCULE-8775451204 Mcule
(-)-EPICATECHIN clinicaltrials
23425 Brenda
The data in this table is sourced from UniChem at EBI.