Dataset

Schisandrin

This MassBank record with Accession MSBNK-RIKEN-PR304028 contains the MS2 mass spectrum of Schisandrin with the InChIkey YEFOAORQXAOVJQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H32O7/c1-13-9-14-10-16(26-3)20(28-5)22(30-7)18(14)19-15(12-24(13,2)25)11-17(27-4)21(29-6)23(19)31-8/h10-11,13,25H,9,12H2,1-8H3
SMILES COC1=C(OC)C(OC)=C2C(CC(C)C(C)(O)CC3=CC(OC)=C(OC)C(OC)=C23)=C1
InChI Key YEFOAORQXAOVJQ-UHFFFAOYSA-N
Molecular Formula C24H32O7
Exact Mass 432.513 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR304028
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:42.294651
MetadataModified 2024-01-11T20:41:42.452590
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
32452636 eMolecules
23915 PubChem
131530952 PubChem: Thomson Pharma
7432-28-2 ACToR
60015876 NMRShiftDB
PA166289002 PharmGKB
PD056352 ProbesDrugs
CB3334838 ChemicalBook
SCHEMBL2702845 SureChEMBL
J527.346C Nikkaji
HMDB0258165 Human Metabolome Database
80900 ChEBI
C17064 KEGG Ligand
The data in this table is sourced from UniChem at EBI.