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
GFU PDBe
DTXSID30318362 EPA CompTox Dashboard
ZINC000004098820 ZINC
50335920 BindingDB
HMDB0303941 Human Metabolome Database
73XCE5OZB0 FDA SRS
MUKBOK CCDC
J17.258H Nikkaji
CHEMBL518421 ChEMBL
C10646 KEGG Ligand
57304423 PubChem: Drugs of the Future
18838 Brenda
MTBLC67246 Metabolights
172512 Brenda
CB5223646 ChemicalBook
67246 Rhea
14852476 PubChem: Thomson Pharma
332427 PubChem
27003-73-2 ACToR
67246 ChEBI
60026972 NMRShiftDB
SCHEMBL121881 SureChEMBL
36772341 eMolecules
The data in this table is sourced from UniChem at EBI.