Dataset

Aristolochic acid C

This MassBank record with Accession MSBNK-RIKEN-PR304744 contains the MS2 mass spectrum of Aristolochic acid C with the InChIkey NBFGYDJKTHENDP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H9NO7/c18-8-2-1-7-3-11(17(21)22)13-10(16(19)20)5-12-15(24-6-23-12)14(13)9(7)4-8/h1-5,18H,6H2,(H,19,20)
SMILES OC(=O)C1=CC2=C(OCO2)C2=C3C=C(O)C=CC3=CC(=C12)N(=O)=O
InChI Key NBFGYDJKTHENDP-UHFFFAOYSA-N
Molecular Formula C16H9NO7
Exact Mass 327.248 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-PR304744
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:37.233978
MetadataModified 2025-02-09T17:59:55.734275
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL603494 ChEMBL
DTXSID00197540 EPA CompTox Dashboard
HY-N1450 MedChemExpress
50306858 BindingDB
165274 PubChem
60145895 NMRShiftDB
PD056719 ProbesDrugs
14752992 PubChem: Thomson Pharma
194151 ChEBI
4849-90-5 ACToR
MTBLC194151 Metabolights
32452573 eMolecules
ZINC000002506675 ZINC
CB2300218 ChemicalBook
The data in this table is sourced from UniChem at EBI.