Dataset

(+)-Usnic acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80048 contains the MS mass spectrum of (+)-Usnic acid with the InChIkey WEYVVCKOOFYHRW-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/h5,21-23H,1-4H3
SMILES CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C)O
InChI Key WEYVVCKOOFYHRW-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-BML80048
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:22:21.528589
MetadataModified 2024-01-11T22:22:21.704497
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
38319 ChEBI
CHEMBL242022 ChEMBL
USNICA CCDC
0W584PFJ77 FDA SRS
209638 BindingDB
USNIC ACID rxnorm
MTBLC38319 Metabolights
SCHEMBL1767536 SureChEMBL
70072621 NMRShiftDB
24211 PubChem
The data in this table is sourced from UniChem at EBI.