Chemical Databank

StOrMoDB is a database containing information on molecules discovered, synthesized, studied or characterized at the ICB. It can contain data of various kinds, such as simple molecular properties measured or calculated, NMR spectra, mass spectra, chromatographic data, functional assays, synthesis or purification schemes, as well as, in the case of compounds of natural derivation, origin and location of the molecules in the organisms of origin. Furthermore, unlike most of the available databases, StOrMoDB is able to correctly manage organometallic compounds, including bonds and coordination centers.

At the same time as the database, an electronic laboratory notebook, StOrMoELN, was developed and made available, which allows you to manage, in addition to the molecular objects of the database, also less structured data, notes, notes and information that connect different molecules, present or not in the database.
Public access to StOrMoDB allows the search, consultation and saving of information on molecules released publicly.

To contribute molecules or data to StOrMoDB and to use the StOrMoELN laboratory electronic notebook, a registration is required, to be requested with the appropriate procedure indicated on the site and, in the case of consultation/modification/addition of data relating to already existing molecules, it will be necessary to be introduced in the appropriate working groups by the researcher responsible for the molecules in question.

Recently, the platform is being enriched with objects, information and tools oriented to metabolomics and, in particular, to the use of mass spectrometry in the recognition of molecules or the characterization of compounds in complex mixtures of metabolites. In particular, ions and molecular fragments are being implemented and further objects have already been introduced in the experimental version: the "products", the "processed products", the "fractionation experiments" and the "fractions", which make it more versatile the platform, allowing to manage the entire supply chain of a typical project for the characterization of extracts, mixtures or complex biological samples. In fact, the new objects make it possible to process functional assays, quantifications and spectroscopic and spectrometric data even in cases in which the analyzed samples are not resolved at the molecular level.

In addition, interfaces to the database for the dissemination of results or scientific communication have also been built and made available in an experimental version. Together with the first applications in the latter field, which gave rise to informative web apps on spices and textile dyes of natural origin, a front-end for a scientific project is being developed, in which access to the data produced in the scope of the project can also be carried out through a "user-friendly" interface accessible to non-specialized users.