Dataset

7-Hydroxy-4-methylcoumarin

This MassBank record with Accession MSBNK-UFZ-UF419354 contains the MS2 mass spectrum of 7-Hydroxy-4-methylcoumarin with the InChIkey HSHNITRMYYLLCV-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
SMILES	CC1=CC(=O)OC2=CC(O)=CC=C12
InChI Key	HSHNITRMYYLLCV-UHFFFAOYSA-N
Molecular Formula	C10H8O3
Exact Mass	176.047 g/mol

Data and Resources

7-Hydroxy-4-methylcoumarinHTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF419354
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:52:47.407371
MetadataModified	2025-02-09T19:49:23.788863
MetadataPublished	2017-01-05
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MUMBEL	CCDC
J3.914D	Nikkaji
50022178	BindingDB
HYMECROMONE	rxnorm
36378197	eMolecules
60078690	NMRShiftDB
LSM-3025	LINCS
3T5NG4Q468	FDA SRS
PD000163	ProbesDrugs
CANTABILINE	clinicaltrials
17224	ChEBI
MCULE-3913656430	Mcule
529222	eMolecules
153751	Brenda
10012	Brenda
168122	Brenda
103045	Brenda
17224	Rhea
CB5745737	ChemicalBook
319	Brenda
45414	Brenda
961	Brenda
HMDB0059622	Human Metabolome Database
5280567	PubChem
HY-N0187	MedChemExpress
4541	Brenda
HYMECROMONE	clinicaltrials
232260	Brenda
ZINC000000058121	ZINC
1401	DrugCentral
DTXSID8025670	EPA CompTox Dashboard
CHEMBL12208	ChEMBL
C03081	KEGG Ligand
DB07118	DrugBank
87550968	PubChem: Drugs of the Future
4MU	PDBe
4-Methylumbelliferone(4-MU)	Selleck
15171253	PubChem: Thomson Pharma
90-33-5	ACToR
56275-29-7	ACToR
SCHEMBL24150	SureChEMBL
The data in this table is sourced from UniChem at EBI.