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

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

7-ACETOXY-4-METHYLCOUMARINHTML
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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.