Dataset

Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS124907 contains the MS2 mass spectrum of Daphnetin, Daphnetol, 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	C1=CC(=C(C2=C1C=CC(=O)O2)O)O
InChI Key	ATEFPOUAMCWAQS-UHFFFAOYSA-N
Molecular Formula	C9H6O4
Exact Mass	178.143 g/mol

Data and Resources

Daphnetin, Daphnetol, 7,8-DihydroxycoumarinHTML
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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-PS124907
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:08:12.258299
MetadataModified	2024-01-11T21:08:12.418526
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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