Dataset

Velutin

This MassBank record with Accession MSBNK-Fiocruz-FIO00270 contains the MS2 mass spectrum of Velutin with the InChIkey ROCUOVBWAWAQFD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-14(23-16(17)7-10)9-3-4-11(18)15(5-9)22-2/h3-8,18-19H,1-2H3
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C=C1c(c2)cc(OC)c(O)c2
InChI Key ROCUOVBWAWAQFD-UHFFFAOYSA-N
Molecular Formula C17H14O6
Exact Mass 314.079 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-Fiocruz-FIO00270
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:40:48.107481
MetadataModified 2024-01-11T16:40:48.285811
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
84983 BindingDB
DTXSID90180421 EPA CompTox Dashboard
LMPK12111053 LipidMaps
HY-N1098 MedChemExpress
ZINC000005732373 ZINC
236301 Brenda
177047 ChEBI
CB71363303 ChemicalBook
5464381 PubChem
60019837 NMRShiftDB
MTBLC177047 Metabolights
15371171 PubChem: Thomson Pharma
25739-41-7 ACToR
SCHEMBL5804380 SureChEMBL
PD065071 ProbesDrugs
J146.867G Nikkaji
249761 Brenda
CT1Q4E0I0W FDA SRS
CHEMBL508292 ChEMBL
The data in this table is sourced from UniChem at EBI.