Dataset

Pinoresinol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82376 contains the MS mass spectrum of Pinoresinol with the InChIkey HGXBRUKMWQGOIE-AFHBHXEDSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H22O6/c1-23-17-7-11(3-5-15(17)21)19-13-9-26-20(14(13)10-25-19)12-4-6-16(22)18(8-12)24-2/h3-8,13-14,19-22H,9-10H2,1-2H3/t13-,14-,19+,20+/m0/s1
SMILES COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C=C4)O)OC)O
InChI Key HGXBRUKMWQGOIE-AFHBHXEDSA-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82376
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:46.848897
MetadataModified 2024-01-11T22:26:47.032001
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
73399 PubChem
14876657 PubChem: Thomson Pharma
16184889 PubChem: Thomson Pharma
40 ChEBI
V4N1UDY811 FDA SRS
60018833 NMRShiftDB
PD069832 ProbesDrugs
J322.968H Nikkaji
SCHEMBL122105 SureChEMBL
FAFXUF CCDC
MCULE-7010032197 Mcule
40 Rhea
CB8100858 ChemicalBook
CHEMBL260183 ChEMBL
MTBLC40 Metabolights
37822 Brenda
ZINC000004098921 ZINC
GEC PDBe
HY-N6253 MedChemExpress
87550943 PubChem: Drugs of the Future
C05366 KEGG Ligand
36772343 eMolecules
The data in this table is sourced from UniChem at EBI.