Dataset

Arctigenin

This MassBank record with Accession MSBNK-RIKEN-PR307864 contains the MS2 mass spectrum of Arctigenin with the InChIkey NQWVSMVXKMHKTF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3
SMILES COC1=C(OC)C=C(CC2COC(=O)C2CC2=CC(OC)=C(O)C=C2)C=C1
InChI Key NQWVSMVXKMHKTF-UHFFFAOYSA-N
Molecular Formula C21H24O6
Exact Mass 372.417 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-PR307864
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:41:41.553393
MetadataModified 2024-01-11T20:41:41.713079
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
60067291 NMRShiftDB
PD056358 ProbesDrugs
SCHEMBL381821 SureChEMBL
CHEMBL1966556 ChEMBL
152141567 PubChem: Thomson Pharma
HMDB0253870 Human Metabolome Database
230232 PubChem
J3.588.084D Nikkaji
QOFJIF CCDC
The data in this table is sourced from UniChem at EBI.