Dataset

Justicidin G

This MassBank record with Accession MSBNK-RIKEN-PR303962 contains the MS2 mass spectrum of Justicidin G with the InChIkey VINGQMQXGDIELG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H14O7/c1-23-19-12-5-13-14(7-24-21(13)22)18(11(12)6-17-20(19)28-9-27-17)10-2-3-15-16(4-10)26-8-25-15/h2-6H,7-9H2,1H3
SMILES COC1=C2OCOC2=CC2=C(C3=C(C=C12)C(=O)OC3)C1=CC=C2OCOC2=C1
InChI Key VINGQMQXGDIELG-UHFFFAOYSA-N
Molecular Formula C21H14O7
Exact Mass 378.336 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-PR303962
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:29:18.786608
MetadataModified 2025-02-09T18:32:05.482030
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL15624848 SureChEMBL
W89XXX2O4Y FDA SRS
71587721 PubChem
DTXSID20189987 EPA CompTox Dashboard
ZINC000014640936 ZINC
The data in this table is sourced from UniChem at EBI.