Dataset

Usnic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82321 contains the MS mass spectrum of Usnic acid with the InChIkey CUCUKLJLRRAKFN-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5,11,22-23H,1-4H3
SMILES CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O
InChI Key CUCUKLJLRRAKFN-UHFFFAOYSA-N
Molecular Formula C18H16O7
Exact Mass 344.090 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-BML82321
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:58.031073
MetadataModified 2024-01-11T22:28:58.192698
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
629388 eMolecules
CHEMBL1375951 ChEMBL
C05153 KEGG Ligand
CB6237422 ChemicalBook
DTXSID0040123 EPA CompTox Dashboard
2264 ChEBI
50202829 BindingDB
HY-N0656 MedChemExpress
J5.374K Nikkaji
HMDB0259730 Human Metabolome Database
5646 PubChem
SCHEMBL177774 SureChEMBL
60068408 NMRShiftDB
PD002025 ProbesDrugs
14827378 PubChem: Thomson Pharma
125-46-2 ACToR
11024-93-4 ACToR
The data in this table is sourced from UniChem at EBI.