Dataset

5-(6-acetyloxy-3,5,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl acetate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00193 contains the MS2 mass spectrum of 5-(6-acetyloxy-3,5,7-trimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl acetate with the InChIkey FWZKNPRCZCUJMQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H22O10/c1-11(24)31-15-9-13(7-8-14(15)27-3)20-23(30-6)19(26)18-16(33-20)10-17(28-4)21(22(18)29-5)32-12(2)25/h7-10H,1-6H3
SMILES CC(=O)OC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC(=O)C)OC)OC)OC
InChI Key FWZKNPRCZCUJMQ-UHFFFAOYSA-N
Molecular Formula C23H22O10
Exact Mass 458.121 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-BML00193
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:33.166806
MetadataModified 2024-01-11T22:27:33.328481
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
1936799 eMolecules
CHEMBL1484360 ChEMBL
ZINC000001082870 ZINC
SCHEMBL17179788 SureChEMBL
MCULE-2417338104 Mcule
1269246 PubChem
The data in this table is sourced from UniChem at EBI.