I want to find related compounds to my favourite small molecule
PubChem for starters.
you could put it into scifinder and run a similarity search. That would yield a list of related derivatives.
Greetings
Christoph
You can do a chemical structure or substructure search using PubChem.
http://pubchem.ncbi.nlm.nih.gov/search/search.cgi#
Hi Shawn
if you have the Mass Spec data you can use these databases to try and find related molecules.
https://xcmsonline.scripps.edu/
http://gnps.ucsd.edu/ProteoSAFe/static/gnps-splash.jsp
Give me a shout if you want to chat more.
I have a structure and name, pubchem was helpful, i will try scifinder, thanks!
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