Dataset

Macrosporin

This MassBank record with Accession MSBNK-AAFC-AC000186 contains the MS2 mass spectrum of Macrosporin with the InChIkey FKTPLNFTYJEAAB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12O5/c1-7-3-9-10(6-12(7)17)16(20)14-11(15(9)19)4-8(21-2)5-13(14)18/h3-6,17-18H,1-2H3
SMILES CC1=C(C=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O
InChI Key FKTPLNFTYJEAAB-UHFFFAOYSA-N
Molecular Formula C16H12O5
Exact Mass 284.068 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-AAFC-AC000186
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:23:44.595867
MetadataModified 2024-01-11T09:23:44.748731
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID50176769 EPA CompTox Dashboard
50480484 BindingDB
16888407 PubChem: Thomson Pharma
159926 PubChem
22225-67-8 ACToR
70000558 NMRShiftDB
SCHEMBL16227189 SureChEMBL
J16.783E Nikkaji
CHEMBL463054 ChEMBL
31239935 eMolecules
The data in this table is sourced from UniChem at EBI.