Dataset

7-ACETOXY-4-METHYLCOUMARIN

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001136 contains the MS mass spectrum of 7-ACETOXY-4-METHYLCOUMARIN with the InChIkey HXVZGASCDAGAPS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
SMILES CC(=O)Oc(c2)cc(O1)c(c2)C(C)=CC(=O)1
InChI Key HXVZGASCDAGAPS-UHFFFAOYSA-N
Molecular Formula C12H10O4
Exact Mass 218.058 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-Fac_Eng_Univ_Tokyo-JP001136
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:28.585258
MetadataModified 2024-01-11T15:56:28.738292
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C03837 KEGG Ligand
510662 eMolecules
33456 BindingDB
HMDB0032989 Human Metabolome Database
MTBLC17763 Metabolights
1640 Brenda
196465 Brenda
30804 Brenda
66897 Brenda
45676 Brenda
17763 Rhea
CB3713093 ChemicalBook
CHEMBL12019 ChEMBL
DTXSID70181895 EPA CompTox Dashboard
ZINC000000057912 ZINC
366 PubChem
PD000820 ProbesDrugs
15172071 PubChem: Thomson Pharma
2747-05-9 ACToR
17763 ChEBI
SCHEMBL335474 SureChEMBL
J45.307B Nikkaji
MCULE-7064321412 Mcule
DIJXIH CCDC
The data in this table is sourced from UniChem at EBI.