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Climbazole

UUID ef0bf11a-9466-4e53-9352-c20fcd7bba04
Flow Object IDfo-2779565f36d03eb4
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 38083-17-9
EC Numbers 253-775-4
prefLabel
Language Value Provenance
en Climbazole
altLabel
Language Value Provenance
en (RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
en 1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone
en Climbazolum
en climbazol
en rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one
en 1-(4-Chlorophenoxy)-1-(1<em>H</em>-imidazol-1-yl)-3,3-dimethyl-2-butanone
en 1-(4-Chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutan-2-one
en 1-[(4-Chlorophenoxy)(<em>tert</em>-butylcarbonyl)methyl]imidazole
en 2-Butanone, 1-(4-chlorophenoxy)-1-(1<em>H</em>-imidazol-1-yl)-3,3-dimethyl-
en BAY-e 6975
en Baypival
en Crinipan AD
en Diazolone
Definitions
Language Value Provenance
en A racemate composed of equimolar amounts of (R)- and (S)-climbazole. It is a topically applied antifungal agent used to treat human fungal skin infections.
References
Shared Properties
Predicate Value
Formal charge 0
Molecular formula C15H17ClN2O2
Molecular mass 292.761
Monoisotopic mass 292.09786

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 ef0bf11a-9466-4e53-9352-c20fcd7bba04 1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 consensus_match group_key=1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one||dimension=Environmental > media=Air > strata=Unknown; cas=38083-17-9; added Common Chemistry CAS names as altLabel: 1-(4-Chlorophenoxy)-1-(1<em>H</em>-imidazol-1-yl)-3,3-dimethyl-2-butanone, 1-(4-Chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutan-2-one, 1-[(4-Chlorophenoxy)(<em>tert</em>-butylcarbonyl)methyl]imidazole, 2-Butanone, 1-(4-chlorophenoxy)-1-(1<em>H</em>-imidazol-1-yl)-3,3-dimethyl-, BAY-e 6975, Baypival, Crinipan AD, Diazolone; object_uuid=fo-2779565f36d03eb4
cas_match_labels 1 consensus_match group_key=1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'38083-17-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2779565f36d03eb4: {'38083-17-9': 'exactMatch'}
prefLabel 1 consensus_match cas=38083-17-9; cc_chebi_agreed_name='Climbazole'; object_uuid=fo-2779565f36d03eb4

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Climbazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:38083-17-9'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=38083-17-9; cc_chebi_agreed_name='Climbazole'; object_uuid=fo-2779565f36d03eb4
altLabel [{'@value': '(RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Climbazolum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Climbazolum', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'climbazol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:climbazol', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'climbazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:climbazole', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Climbazolum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Climbazolum', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'climbazol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:climbazol', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=38083-17-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-2779565f36d03eb4
altLabel [{'@value': '(RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Climbazolum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Climbazolum', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'climbazol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:climbazol', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '(RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(RS)-1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1-(p-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethyl -2-butanone', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Climbazolum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Climbazolum', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'climbazol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:climbazol', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:rac-1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_83499', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-(4-Chlorophenoxy)-1-(1<em>H</em>-imidazol-1-yl)-3,3-dimethyl-2-butanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:38083-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=38083-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-(4-Chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:38083-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=38083-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-[(4-Chlorophenoxy)(<em>tert</em>-butylcarbonyl)methyl]imidazole', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:38083-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=38083-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Butanone, 1-(4-chlorophenoxy)-1-(1<em>H</em>-imidazol-1-yl)-3,3-dimethyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:38083-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=38083-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BAY-e 6975', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:38083-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=38083-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Baypival', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:38083-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=38083-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Crinipan AD', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:38083-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=38083-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diazolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:38083-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=38083-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one||dimension=Environmental > media=Air > strata=Unknown; cas=38083-17-9; added Common Chemistry CAS names as altLabel: 1-(4-Chlorophenoxy)-1-(1<em>H</em>-imidazol-1-yl)-3,3-dimethyl-2-butanone, 1-(4-Chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethylbutan-2-one, 1-[(4-Chlorophenoxy)(<em>tert</em>-butylcarbonyl)methyl]imidazole, 2-Butanone, 1-(4-chlorophenoxy)-1-(1<em>H</em>-imidazol-1-yl)-3,3-dimethyl-, BAY-e 6975, Baypival, Crinipan AD, Diazolone; object_uuid=fo-2779565f36d03eb4
cas_match_labels None {'38083-17-9': 'exactMatch'} group_key=1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one||dimension=Environmental > media=Air > strata=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'38083-17-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2779565f36d03eb4: {'38083-17-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "ef0bf11a-9466-4e53-9352-c20fcd7bba04",
  "name": null,
  "cas_numbers": [
    "38083-17-9"
  ],
  "ec_numbers": [
    "253-775-4"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 11770.0
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.66e-7
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 2.66e-7
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 11770.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "ef0bf11a-9466-4e53-9352-c20fcd7bba04",
  "input_datasets": [
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      "source_flow_name": "1-(4-chlorophenoxy)-1-(1h-imidazol-1-yl)-3,3-dimethylbutan-2-one",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to soil",
          "Emissions to agricultural soil"
        ]
      }
    }
  ],
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    "context": "default_context_mapping",
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    "properties": "enrich_references",
    "skos:definition": "enrich_references",
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    "cas_match_labels": "consensus_match"
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
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      "@value": [
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      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
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    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
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      "rdfs:label": "Molecular mass",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
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      "rdfs:label": "Monoisotopic mass",
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    "https://w3id.org/chemrof/formal_charge": {
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      "@value": [
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      "rdfs:label": "Formal charge",
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