Dataset

Matairesinol

This MassBank record with Accession MSBNK-NaToxAq-NA001612 contains the MS2 mass spectrum of Matairesinol with the InChIkey MATGKVZWFZHCLI-LSDHHAIUSA-N.

Chemical Info

molecular Image
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=CC(C[C@H]2COC(=O)[C@@H]2CC2=CC=C(O)C(OC)=C2)=CC=C1O
InChI Key MATGKVZWFZHCLI-LSDHHAIUSA-N
Molecular Formula C20H22O6
Exact Mass 358.142 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA001612
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:15:46.648582
MetadataModified 2025-02-09T17:10:51.258785
MetadataPublished 2019-07-31
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.