Table information for 'species.main'

General

This table is available for ADQL queries and through the TAP endpoint.

Resource Description: A TAP-queriable database of common names of molecules and their InChIs. This is an experimental copy of http://species.vamdc.org created in the context of the LineTAP effort, augmented with names found in the CASA line list. You will probably want to query this using SQL wildcards (% and _) and the ILIKE operator.

For a list of all services and tables belonging to this table's resource, see Information on resource 'Atomic and Molecular Species Names'

Citing this table

This table has an associated publication. If you use data from it, it may be appropriate to reference http://species.vamdc.org either in addition to or instead of the service reference.

To cite the table as such, we suggest the following BibTeX entry:

@MISC{vo:species_main,
  year=2022,
  title={Atomic and Molecular Species Names},
  author={The {VAMDC} consortium and Brogan, C. and Remijan, A. J. and Markwick-Kemper, A.},
  url={http://dc.zah.uni-heidelberg.de/tableinfo/species.main},
  howpublished={{VO} resource provided by the {GAVO} Data Center}
}

Columns

Sorted by DB column index. [Sort alphabetically]

NameTable Head DescriptionUnitUCD
inchikey Inchikey InChIKey of this species N/A N/A
inchi Inchi InChI of this species N/A N/A
name Name A common name of this species N/A N/A
formula Formula Chemical formula of this species in some free-ish notation N/A N/A
source_id Source_id VAMDC identifier of the origin of this mapping N/A N/A

Columns that are parts of indices are marked like this.

Other

The following services may use the data contained in this table:

VOResource

VO nerds may sometimes need VOResource XML for this table.