Dataset

(+)-Epicatechin

This MassBank record with Accession MSBNK-RIKEN-PR306309 contains the MS2 mass spectrum of (+)-Epicatechin with the InChIkey PFTAWBLQPZVEMU-ZFWWWQNUSA-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-/m0/s1
SMILES C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
InChI Key PFTAWBLQPZVEMU-ZFWWWQNUSA-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-PR306309
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:42:19.136144
MetadataModified 2024-01-11T20:42:19.299840
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC76125 Metabolights
HMDB0037954 Human Metabolome Database
1161 Brenda
32617 Brenda
LD6B6TT8Q5 FDA SRS
32459 Brenda
50135167 BindingDB
ZINC000000119978 ZINC
J21.709C Nikkaji
SCHEMBL862089 SureChEMBL
76125 ChEBI
182232 PubChem
60028497 NMRShiftDB
14922484 PubChem: Thomson Pharma
35323-91-2 ACToR
CHEMBL129482 ChEMBL
C09728 KEGG Ligand
The data in this table is sourced from UniChem at EBI.