Dataset

Asarinin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80780 contains the MS mass spectrum of Asarinin with the InChIkey PEYUIKBAABKQKQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2
SMILES C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6
InChI Key PEYUIKBAABKQKQ-UHFFFAOYSA-N
Molecular Formula C20H18O6
Exact Mass 354.110 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-BML80780
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:05.455734
MetadataModified 2024-01-11T22:24:05.633899
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
607-80-7 ACToR
62549-18-2 ACToR
13079-95-3 ACToR
PD056330 ProbesDrugs
14827936 PubChem: Thomson Pharma
5204 PubChem
60024993 NMRShiftDB
SCHEMBL94518 SureChEMBL
TAPWAI CCDC
HMDB0242327 Human Metabolome Database
J25.450I Nikkaji
CHEMBL1904496 ChEMBL
1970454 eMolecules
The data in this table is sourced from UniChem at EBI.