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

molecular Image
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

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
15213400 PubChem: Thomson Pharma
PD056320 ProbesDrugs
LSM-3712 LINCS
574-84-5 ACToR
SCHEMBL43472 SureChEMBL
CD3GD44O3K FDA SRS
5273569 PubChem
45527 Brenda
5169 Rhea
CB9110595 ChemicalBook
MTBLC5169 Metabolights
C09265 KEGG Ligand
CHEMBL54909 ChEMBL
492333 eMolecules
ZINC000000113309 ZINC
5169 ChEBI
DTXSID00205992 EPA CompTox Dashboard
HY-N0580 MedChemExpress
MolPort-001-683-945 MolPort
76067 NMRShiftDB
J11.539H Nikkaji
50206215 BindingDB
MCULE-2693568829 Mcule
The data in this table is sourced from UniChem at EBI.