{% extends 'base.html' %} {% block plugin_content %}

Compounds {{data.compound.name}}

Attributes
 
Name
{{data.compound.name}}
Chemical formula
{{data.compound.chemical_formula}}
Monoisotopic mass
{{data.compound.monoisotopic_mass}}
InChI
{{data.compound.inchi}}
InChI key
{{data.compound.inchi_key}}
IUPAC
{{data.compound.iupac}}
SMILES
{{data.compound.smiles}}
log P
{{data.compound.log_p}}
Name
Chemical formula
Neutral mass
InChI
InChI key
External databases
{% for row in data.external_dbs %}
{{ row.db_name }}
{% if row.cts_lookup %}
{% endif %}
{% endfor %}
External links
{% for row in data.external_dbs %} {% if row.links %}
{{ row.db_name }}
{% for i in row.links %} {{i.ref}}  {% endfor %}
{% endif %} {% endfor %}
Annotations
{% for row in data.annotation_methods %}
{{ row.cpd_name }}
{% if row.secondary_compound_id and row.secondary_compound_operator %}
{% if data.compound.id == row.secondary_compound_id %} {{ data.compound.id }} {{ row.secondary_compound_operator.value }} {{ row.compound_id }} {% else %} {{ row.secondary_compound_id }} {{ row.secondary_compound_operator.value }} {{ row.compound_id }} {% endif %}
{% endif %}
{% endfor %}
LIMS aliquots
LIMS ID
{% for row in data.aliquots %} {{ row.legacy_lims_ids }} {% endfor %}
Structure
{% if data.chemical_standard_datasets %}
Retention Time - M/Z
{% for row in data.chemical_standard_datasets %}
{% if row.acquired_date %}
{{ row.acquired_date }}
{%endif%}
{% endfor %}
M/Z - Intensity
{% for row in data.chemical_standard_datasets %}
{% if row.acquired_date %}
{{ row.acquired_date }}
{%endif%}
{% endfor %}
{%endif%}
{% endblock %} {% block tail %} {{ super() }} {% endblock %}