Dataset

Fraxetin

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81263 contains the MS mass spectrum of Fraxetin with the InChIkey HAVWRBANWNTOJX-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
SMILES	COC1=C(C(=C2C(=C1)C=CC(=O)O2)O)O
InChI Key	HAVWRBANWNTOJX-UHFFFAOYSA-N
Molecular Formula	C10H8O5
Exact Mass	208.037 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81263
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:29:03.342359
MetadataModified	2024-01-11T22:29:03.499899
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
5273569	PubChem
PD056320	ProbesDrugs
15213400	PubChem: Thomson Pharma
LSM-3712	LINCS
574-84-5	ACToR
SCHEMBL43472	SureChEMBL
CD3GD44O3K	FDA SRS
76067	NMRShiftDB
MCULE-2693568829	Mcule
J11.539H	Nikkaji
ZINC000000113309	ZINC
50206215	BindingDB
DTXSID00205992	EPA CompTox Dashboard
HY-N0580	MedChemExpress
5169	ChEBI
5169	Rhea
CB9110595	ChemicalBook
MTBLC5169	Metabolights
45527	Brenda
C09265	KEGG Ligand
CHEMBL54909	ChEMBL
492333	eMolecules
The data in this table is sourced from UniChem at EBI.