Dataset

Gallocatechin

This MassBank record with Accession MSBNK-BS-BS003904 contains the MS mass spectrum of Gallocatechin with the InChIkey XMOCLSLCDHWDHP-DOMZBBRYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1
SMILES C1[C@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O
InChI Key XMOCLSLCDHWDHP-DOMZBBRYSA-N
Molecular Formula C15H14O7
Exact Mass 306.074 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-BS003904
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:48.280036
MetadataModified 2024-01-11T12:36:48.463165
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
50086925 PubChem: Drugs of the Future
CHEMBL264167 ChEMBL
XETNIW CCDC
HMDB0302404 Human Metabolome Database
J277.680D Nikkaji
ZINC000003870337 ZINC
DTXSID10432358 EPA CompTox Dashboard
HY-N0521 MedChemExpress
126759 Brenda
50373220 BindingDB
MTBLC71225 Metabolights
CB2430953 ChemicalBook
71225 ChEBI
60016314 NMRShiftDB
PD007209 ProbesDrugs
14849787 PubChem: Thomson Pharma
SCHEMBL1742127 SureChEMBL
9882981 PubChem
538811 eMolecules
The data in this table is sourced from UniChem at EBI.