Dataset

(+)-Epicatechin

This MassBank record with Accession MSBNK-RIKEN-PR302635 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 O[C@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(O)=C(O)C=C1
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-PR302635
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:42:51.736417
MetadataModified 2025-02-09T18:29:48.690548
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
76125 ChEBI
SCHEMBL862089 SureChEMBL
32459 Brenda
32617 Brenda
1161 Brenda
HMDB0037954 Human Metabolome Database
MTBLC76125 Metabolights
182232 PubChem
60028497 NMRShiftDB
14922484 PubChem: Thomson Pharma
35323-91-2 ACToR
C09728 KEGG Ligand
CHEMBL129482 ChEMBL
LD6B6TT8Q5 FDA SRS
ZINC000000119978 ZINC
50135167 BindingDB
J21.709C Nikkaji
The data in this table is sourced from UniChem at EBI.