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Flucarbazone-sodium

2D structure
UUID 4e57adca-2259-47d9-9971-2f86310cbcde
Flow Object IDfo-39cbdb7ea5b67a48
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 181274-17-9
prefLabel ⓘ
Language Value Provenance
en Flucarbazone-sodium
altLabel ⓘ
Language Value Provenance
en BAY-MKH 6562
en MKH 6562
en flucarbazone-Na
en sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide
en sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide
en 1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt
en 1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)
en Everest
en SJO 0498
Definitions
Language Value Provenance
en An organic sodium salt resulting from the formal reaction of the sulfonamide amino group of flucarbazone with 1 mol eq. of sodium hydride. An acetolactate synthase inhibitor, it is used as a herbicide to control grass weeds in cereal crops. Not approved for use within the European Union.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey UOUXAYAIONPXDH-UHFFFAOYSA-M
InChI InChI=1S/C12H11F3N4O6S.Na/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15;/h3-6H,1-2H3,(H,17,20);/q;+1/p-1
IUPAC name sodium (3-methoxy-4-methyl-5-oxidanylidene-1,2,4-triazol-1-yl)carbonyl-[2-(trifluoromethyloxy)phenyl]sulfonyl-azanide, sodium (3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonyl-azanide, sodium (3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonylazanide, sodium (5-keto-3-methoxy-4-methyl-1,2,4-triazole-1-carbonyl)-[2-(trifluoromethoxy)phenyl]sulfonyl-azanide, sodium [(3-methoxy-4-methyl-5-oxo-1,2,4-triazol-1-yl)-oxomethyl]-[2-(trifluoromethoxy)phenyl]sulfonylazanide
Molecular formula C12H10F3N4NaO6S, C12H10F3N4O6S.Na
Molecular mass 418.285
Monoisotopic mass 418.01708, 418.017084
SMILES CN1C(=NN(C1=O)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC.[Na+], COc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C.[Na+]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 4e57adca-2259-47d9-9971-2f86310cbcde Flucarbazone sodium salt
ecoinvent 3.12 4a786a72-4967-453c-b752-2cb1eaf73a0b Flucarbazone sodium salt
ecoinvent 3.12 4e3cbb01-cfec-5c1a-a2b2-a4aab5ea5dda Flucarbazone sodium salt
ecoinvent 3.12 2e7073ed-3203-5e31-87f8-b1dbb9f801cd Flucarbazone sodium salt

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 Flucarbazone sodium salt Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch —
https://vocab.brightway.one/ecoinvent/3.12/flow/4a786a72-4967-453c-b752-2cb1eaf73a0b Flucarbazone sodium salt soil / agricultural kg exactMatch —
https://vocab.brightway.one/ecoinvent/3.12/flow/4e3cbb01-cfec-5c1a-a2b2-a4aab5ea5dda Flucarbazone sodium salt soil / unspecified kg closeMatch —
https://vocab.brightway.one/ecoinvent/3.12/flow/2e7073ed-3203-5e31-87f8-b1dbb9f801cd Flucarbazone sodium salt soil / forestry kg closeMatch —

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=flucarbazonesodiumsalt||dimension=Environmental > media=Ground > geography=Agricultural; cas=181274-17-9; added Common Chemistry CAS names as altLabel: 1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt, 1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1), Everest, SJO 0498; object_uuid=fo-39cbdb7ea5b67a48
cas_match_labels 1 — consensus_match group_key=flucarbazonesodiumsalt||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'181274-17-9': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-39cbdb7ea5b67a48: {'181274-17-9': 'exactMatch'}
prefLabel 1 — consensus_match cas=181274-17-9; cc_chebi_agreed_name='Flucarbazone-sodium'; object_uuid=fo-39cbdb7ea5b67a48

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Flucarbazone Sodium Salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Flucarbazone-sodium', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:181274-17-9'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=181274-17-9; cc_chebi_agreed_name='Flucarbazone-sodium'; object_uuid=fo-39cbdb7ea5b67a48
altLabel [{'@value': 'BAY-MKH 6562', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BAY-MKH 6562', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'MKH 6562', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:MKH 6562', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'flucarbazone-Na', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:flucarbazone-Na', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'BAY-MKH 6562', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BAY-MKH 6562', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'MKH 6562', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:MKH 6562', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'flucarbazone-Na', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:flucarbazone-Na', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Flucarbazone Sodium Salt', '@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=181274-17-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-39cbdb7ea5b67a48
altLabel [{'@value': 'BAY-MKH 6562', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BAY-MKH 6562', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'MKH 6562', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:MKH 6562', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'flucarbazone-Na', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:flucarbazone-Na', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Flucarbazone Sodium Salt', '@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': 'BAY-MKH 6562', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:BAY-MKH 6562', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'MKH 6562', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:MKH 6562', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'flucarbazone-Na', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:flucarbazone-Na', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide', 'http://purl.obolibrary.org/obo/CHEBI_82010', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:181274-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=181274-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:181274-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=181274-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Everest', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:181274-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=181274-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SJO 0498', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:181274-17-9', 'https://commonchemistry.cas.org/detail?cas_rn=181274-17-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=flucarbazonesodiumsalt||dimension=Environmental > media=Ground > geography=Agricultural; cas=181274-17-9; added Common Chemistry CAS names as altLabel: 1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt, 1<em>H</em>-1,2,4-Triazole-1-carboxamide, 4,5-dihydro-3-methoxy-4-methyl-5-oxo-<em>N</em>-[[2-(trifluoromethoxy)phenyl]sulfonyl]-, sodium salt (1:1), Everest, SJO 0498; object_uuid=fo-39cbdb7ea5b67a48
cas_match_labels None {'181274-17-9': 'exactMatch'} group_key=flucarbazonesodiumsalt||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'181274-17-9': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-39cbdb7ea5b67a48: {'181274-17-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "4e57adca-2259-47d9-9971-2f86310cbcde",
  "name": null,
  "cas_numbers": [
    "181274-17-9"
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  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "4e57adca-2259-47d9-9971-2f86310cbcde",
  "input_datasets": [
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  "source_refs": [
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      "list_version": "3.1",
      "source_flow_uuid": "4e57adca-2259-47d9-9971-2f86310cbcde",
      "source_flow_name": "Flucarbazone sodium salt",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to soil",
          "Emissions to agricultural soil"
        ]
      }
    }
  ],
  "prefLabel": [
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "rdkit_post_consensus",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "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": [
        "C12H10F3N4NaO6S",
        "C12H10F3N4O6S.Na"
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      "rdfs:label": "Molecular formula",
      "provenance": [
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        {
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          "prov:hadPrimarySource": [
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      "@value": [
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      "rdfs:label": "SMILES",
      "provenance": [
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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