Dataset

Epigallocatechin

This MassBank record with Accession MSBNK-BS-BS003950 contains the MS2 mass spectrum of Epigallocatechin with the InChIkey XMOCLSLCDHWDHP-IUODEOHRSA-N.

Chemical Info

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-IUODEOHRSA-N
Molecular Formula	C15H14O7
Exact Mass	306.074 g/mol

Data and Resources

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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-BS003950
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:39:56.706740
MetadataModified	2025-02-09T08:48:46.346396
MetadataPublished	2017-12-01
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
14874045	PubChem: Thomson Pharma
72277	PubChem
60021305	NMRShiftDB
PD002159	ProbesDrugs
970-74-1	ACToR
7Z197MG6QL	FDA SRS
LSM-20967	LINCS
2545-09-7	ACToR
16037106	PubChem: Thomson Pharma
CB2757768	ChemicalBook
DTXSID40891550	EPA CompTox Dashboard
HMDB0038361	Human Metabolome Database
2229	Brenda
2241	Brenda
111988	Brenda
MTBLC42255	Metabolights
42255	ChEBI
SCHEMBL19553	SureChEMBL
224988	Brenda
50187665	BindingDB
DB03823	DrugBank
LMPK12020004	LipidMaps
J277.681B	Nikkaji
IQEQOM	CCDC
HY-N0225	MedChemExpress
476865	eMolecules
ZINC000003870336	ZINC
C12136	KEGG Ligand
50086908	PubChem: Drugs of the Future
CHEMBL47386	ChEMBL
EGT	PDBe
The data in this table is sourced from UniChem at EBI.