Dataset

7,8-Dihydroxycoumarin

This MassBank record with Accession MSBNK-RIKEN-PR306781 contains the MS2 mass spectrum of 7,8-Dihydroxycoumarin with the InChIkey ATEFPOUAMCWAQS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
SMILES	OC1=C(O)C2=C(C=CC(=O)O2)C=C1
InChI Key	ATEFPOUAMCWAQS-UHFFFAOYSA-N
Molecular Formula	C9H6O4
Exact Mass	178.143 g/mol

Data and Resources

7,8-DihydroxycoumarinHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR306781
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T19:52:40.624216
MetadataModified	2025-02-09T18:29:47.920270
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
MCULE-9549774136	Mcule
20039281	NMRShiftDB
CB0410069	ChemicalBook
29646	Brenda
17313	Rhea
193148	Brenda
8088	Brenda
486-35-1	ACToR
14772689	PubChem: Thomson Pharma
Daphnetin	Selleck
SCHEMBL128212	SureChEMBL
PD001265	ProbesDrugs
XC84571RD2	FDA SRS
LSM-3366	LINCS
5280569	PubChem
525016	eMolecules
CHEMBL244948	ChEMBL
17313	ChEBI
C03093	KEGG Ligand
DTXSID00197560	EPA CompTox Dashboard
DAPHET	CCDC
J6.008I	Nikkaji
ZINC000000057753	ZINC
50206006	BindingDB
HY-N0281	MedChemExpress
The data in this table is sourced from UniChem at EBI.