Dataset

Arctigenin

This MassBank record with Accession MSBNK-RIKEN-PR303924 contains the MS2 mass spectrum of Arctigenin with the InChIkey NQWVSMVXKMHKTF-JKSUJKDBSA-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/t15-,16+/m0/s1
SMILES COC1=C(OC)C=C(C[C@H]2COC(=O)[C@@H]2CC2=CC(OC)=C(O)C=C2)C=C1
InChI Key NQWVSMVXKMHKTF-JKSUJKDBSA-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-PR303924
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:28:58.965488
MetadataModified 2025-02-09T18:24:49.980649
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-1275881531 Mcule
SCHEMBL381820 SureChEMBL
CB5136742 ChemicalBook
210796 Brenda
HMDB0030087 Human Metabolome Database
64981 PubChem
PD012062 ProbesDrugs
15498044 PubChem: Thomson Pharma
16832329 PubChem: Thomson Pharma
7770-78-7 ACToR
LSM-3183 LINCS
U76MR9VS6M FDA SRS
DB16880 DrugBank
60026490 NMRShiftDB
533902 eMolecules
CHEMBL435734 ChEMBL
C10545 KEGG Ligand
79 ChEBI
MCULE-5621583813 Mcule
ZINC000001615344 ZINC
J16.086E Nikkaji
QOFJIF CCDC
50375656 BindingDB
HY-N0035 MedChemExpress
EQC PDBe
2FD8L150E7 FDA SRS
247482 Brenda
The data in this table is sourced from UniChem at EBI.