Dataset

4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS007005 contains the MS2 mass spectrum of 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone with the InChIkey HSHNITRMYYLLCV-UHFFFAOYSA-N.

Chemical Info

molecular Image
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=C1C=CC(=C2)O
InChI Key HSHNITRMYYLLCV-UHFFFAOYSA-N
Molecular Formula C10H8O3
Exact Mass 176.171 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS007005
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:21:12.772806
MetadataModified 2025-02-09T19:05:40.649357
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
90-33-5 ACToR
LSM-3025 LINCS
CANTABILINE clinicaltrials
56275-29-7 ACToR
3T5NG4Q468 FDA SRS
SCHEMBL24150 SureChEMBL
4-Methylumbelliferone(4-MU) Selleck
15171253 PubChem: Thomson Pharma
PD000163 ProbesDrugs
60078690 NMRShiftDB
5280567 PubChem
36378197 eMolecules
529222 eMolecules
153751 Brenda
10012 Brenda
168122 Brenda
961 Brenda
45414 Brenda
319 Brenda
103045 Brenda
HMDB0059622 Human Metabolome Database
17224 Rhea
CB5745737 ChemicalBook
MCULE-3913656430 Mcule
17224 ChEBI
4541 Brenda
232260 Brenda
HY-N0187 MedChemExpress
HYMECROMONE clinicaltrials
HYMECROMONE rxnorm
50022178 BindingDB
MUMBEL CCDC
J3.914D Nikkaji
ZINC000000058121 ZINC
DTXSID8025670 EPA CompTox Dashboard
1401 DrugCentral
CHEMBL12208 ChEMBL
DB07118 DrugBank
87550968 PubChem: Drugs of the Future
C03081 KEGG Ligand
4MU PDBe
The data in this table is sourced from UniChem at EBI.