Dataset

epi-Pinoresinol

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82412 contains the MS mass spectrum of epi-Pinoresinol with the InChIkey HGXBRUKMWQGOIE-WZBLMQSHSA-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-WZBLMQSHSA-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-BML82412
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:44.153412
MetadataModified 2024-01-11T22:23:44.328647
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL487611 ChEMBL
6YKG9JJC1S FDA SRS
MTBLC132821 Metabolights
132821 ChEBI
ZINC000012153081 ZINC
CB61468340 ChemicalBook
HY-N7534 MedChemExpress
50379794 BindingDB
SCHEMBL10019016 SureChEMBL
J322.964E Nikkaji
637584 PubChem
15027192 PubChem: Thomson Pharma
60025574 NMRShiftDB
The data in this table is sourced from UniChem at EBI.