# Development and Mining of a Volatile Organic Compound Database

## TL;DR

This paper introduces a new database for volatile organic compounds and their ecological and health-related roles.

## Contribution

The novel contribution is the development of a comprehensive VOC database linked to biological activity and ecological data.

## Key findings

- The KNApSAcK Metabolite Ecology Database was created to store VOC-organism relationships.
- The database is connected to other KNApSAcK databases for detailed metabolite information.
- The VOC database is available online for public access.

## Abstract

Volatile organic compounds (VOCs) are small molecules that exhibit high vapor pressure under ambient conditions and have low boiling points. Although VOCs contribute only a small proportion of the total metabolites produced by living organisms, they play an important role in chemical ecology specifically in the biological interactions between organisms and ecosystems. VOCs are also important in the health care field as they are presently used as a biomarker to detect various human diseases. Information on VOCs is scattered in the literature until now; however, there is still no available database describing VOCs and their biological activities. To attain this purpose, we have developed KNApSAcK Metabolite Ecology Database, which contains the information on the relationships between VOCs and their emitting organisms. The KNApSAcK Metabolite Ecology is also linked with the KNApSAcK Core and KNApSAcK Metabolite Activity Database to provide further information on the metabolites and their biological activities. The VOC database can be accessed online.