Dataset

Daphnoretine Acetate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81045 contains the MS mass spectrum of Daphnoretine Acetate with the InChIkey JGZOXTSCOZGQNQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H14O8/c1-11(22)26-18-10-16-13(7-17(18)25-2)8-19(21(24)29-16)27-14-5-3-12-4-6-20(23)28-15(12)9-14/h3-10H,1-2H3
SMILES CC(=O)OC1=C(C=C2C=C(C(=O)OC2=C1)OC3=CC4=C(C=C3)C=CC(=O)O4)OC
InChI Key JGZOXTSCOZGQNQ-UHFFFAOYSA-N
Molecular Formula C21H14O8
Exact Mass 394.069 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-BML81045
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:12.835935
MetadataModified 2024-01-11T22:25:13.000739
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1509697 ChEMBL
4795637 eMolecules
MCULE-5602103426 Mcule
1269245 PubChem
70077611 NMRShiftDB
ZINC000001082868 ZINC
The data in this table is sourced from UniChem at EBI.