Open alan-jarmusch opened 4 years ago
(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
We have several options, can use cactus:
https://cactus.nci.nih.gov/chemical/structure
or use OPSIN locally:
Given that cactus is already used for an InChIKey lookup, adding a name lookup would make sense to me. This difficult part would be getting a name from cactus because it will just return a list of names for a given identifier.
For example: https://cactus.nci.nih.gov/chemical/structure/InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N/names
Here's a basic implementation of the lookup: https://github.com/mwang87/ChemicalStructureWebService/tree/name_lookup
The tests run fine, but I haven't added any new cases.
it's really nice.