Dataset

Matairesinol

This MassBank record with Accession MSBNK-RIKEN-PR304000 contains the MS2 mass spectrum of Matairesinol with the InChIkey MATGKVZWFZHCLI-LSDHHAIUSA-N.

Chemical Info

InChI	InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
SMILES	COC1=C(O)C=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(O)C=C2)=C1
InChI Key	MATGKVZWFZHCLI-LSDHHAIUSA-N
Molecular Formula	C20H22O6
Exact Mass	358.390 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-RIKEN-PR304000
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:26:49.838471
MetadataModified	2025-02-09T18:25:15.159597
MetadataPublished	2019-03-28
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
119205	PubChem
60022945	NMRShiftDB
PD006886	ProbesDrugs
580-72-3	ACToR
SCHEMBL120499	SureChEMBL
17163848	PubChem: Thomson Pharma
16403545	PubChem: Thomson Pharma
504687	eMolecules
6698	ChEBI
HMDB0035698	Human Metabolome Database
86939	Brenda
MTBLC6698	Metabolights
6698	Rhea
J14.221B	Nikkaji
50240921	BindingDB
ZINC000001595957	ZINC
MCULE-2004788067	Mcule
CB6207276	ChemicalBook
XLW63P8WUA	FDA SRS
DB04200	DrugBank
CHEMBL425148	ChEMBL
C10682	KEGG Ligand
MAX	PDBe
The data in this table is sourced from UniChem at EBI.