Dataset

Lariciresinol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82415 contains the MS mass spectrum of Lariciresinol with the InChIkey MHXCIKYXNYCMHY-AUSJPIAWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H24O6/c1-24-18-8-12(3-5-16(18)22)7-14-11-26-20(15(14)10-21)13-4-6-17(23)19(9-13)25-2/h3-6,8-9,14-15,20-23H,7,10-11H2,1-2H3/t14-,15-,20+/m0/s1
SMILES COC1=C(C=CC(=C1)C[C@H]2CO[C@@H]([C@H]2CO)C3=CC(=C(C=C3)O)OC)O
InChI Key MHXCIKYXNYCMHY-AUSJPIAWSA-N
Molecular Formula C20H24O6
Exact Mass 360.157 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82415
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:49.334271
MetadataModified 2024-01-11T22:28:49.483117
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL518421 ChEMBL
C10646 KEGG Ligand
57304423 PubChem: Drugs of the Future
36772341 eMolecules
MTBLC67246 Metabolights
67246 Rhea
CB5223646 ChemicalBook
172512 Brenda
18838 Brenda
ZINC000004098820 ZINC
MUKBOK CCDC
DTXSID30318362 EPA CompTox Dashboard
GFU PDBe
50335920 BindingDB
HMDB0303941 Human Metabolome Database
J17.258H Nikkaji
SCHEMBL121881 SureChEMBL
73XCE5OZB0 FDA SRS
14852476 PubChem: Thomson Pharma
332427 PubChem
27003-73-2 ACToR
67246 ChEBI
60026972 NMRShiftDB
The data in this table is sourced from UniChem at EBI.