Flucarbazone-sodium

UUID 4e57adca-2259-47d9-9971-2f86310cbcde

Flow Object ID fo-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

agr:IND22067557
agr:IND23140074
agr:IND23223219
agr:IND43655730
agr:IND601309321
agr:IND601309702
https://chem.echa.europa.eu/100.116.227
https://commonchemistry.cas.org/detail?cas_rn=181274-17-9
https://comptox.epa.gov/dashboard/DTXSID3034614
https://gsrs.ncats.nih.gov/ginas/app/beta/substances/76VQM4L12C
https://pubchem.ncbi.nlm.nih.gov/compound/12056760
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82010
https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183196
https://www.genome.jp/entry/C18851
https://www.kegg.jp/entry/C18851
https://www.wikidata.org/wiki/Q27155688
pesticides:derivatives/flucarbazone-sodium
ppdb:1157
reaxys:14186850

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`
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

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`	—

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

Attribute	Value
dimension	Environmental
media	Ground
geography	Agricultural

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"
  ],
  "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": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "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": [
    {
      "@value": "Flucarbazone-sodium",
      "@language": "en",
      "source": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:181274-17-9"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "_sources": {
    "prefLabel": "consensus_match",
    "name": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-agri",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C12H10F3N4NaO6S",
        "C12H10F3N4O6S.Na"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
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          "prov:hadPrimarySource": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
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        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:12056760"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "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+]"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
        },
        {
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
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      ]
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "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"
      ],
      "rdfs:label": "InChI",
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