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Bronopol

UUID 7431a22d-5f5c-4bb0-bd72-695bdbd6b03a
Flow Object IDfo-43ab622892246e36
Source EF 3.1
Context Environmental → Air → Unknown
CAS Numbers 52-51-7
EC Numbers 200-143-0
prefLabel
Language Value Provenance
en Bronopol
altLabel ⓘ
Language Value Provenance
en 1,3-Propanediol, 2-bromo-2-nitro-
en 2-Bromo-2-nitro-1,3-propanediol
en 2-Bromo-2-nitropropan-1,3-diol
en 2-Bromo-2-nitropropane-1,3-diol
en 2-Nitro-2-bromo-1,3-propanediol
en Acticide L 10
en Acticide L 30
en BE 6
en BE 6 (bactericide)
en BNPD
en BNPK
en Bactinash 200
en Bactrinashak
en Bactrinol 100
en Bactronol
en Bioban
en Bioban BP 10
en Bioban BP 40
en Bioban BP Plus
en Bronidiol
en Bronocot
en Bronotak
en Busan 1144
en Canguard 409
en Myacide AS
en Myacide AS Plus
en Myacide BT
en Myacide Pharma BP
en N 25
en N 25 (antimicrobial)
en NSC 141021
en Nalco 92RU093
en Onyxide 500
en Preventol P 100
en Protectol BN
en Protectol BN 98
en Protectol BN 99
en Pyceze
en Topcide 2520
en Ultra-Fresh SAB
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey LVDKZNITIUWNER-UHFFFAOYSA-N
InChI InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2
IUPAC name 2-bromanyl-2-nitro-propane-1,3-diol, 2-bromo-2-nitro-propane-1,3-diol, 2-bromo-2-nitropropane-1,3-diol
Molecular formula C3H6BrNO4
Molecular mass 199.988
Monoisotopic mass 198.94802
SMILES C(C(CO)([N+](=O)[O-])Br)O, O=[N+]([O-])C(Br)(CO)CO

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 7431a22d-5f5c-4bb0-bd72-695bdbd6b03a bronopol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 bronopol Emissions/Emissions to air/Emissions to air, indoor kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=bronopol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=52-51-7; added Common Chemistry CAS names as altLabel: 1,3-Propanediol, 2-bromo-2-nitro-, 2-Bromo-2-nitro-1,3-propanediol, 2-Bromo-2-nitropropan-1,3-diol, 2-Bromo-2-nitropropane-1,3-diol, 2-Nitro-2-bromo-1,3-propanediol, Acticide L 10, Acticide L 30, BE 6, BE 6 (bactericide), BNPD, BNPK, Bactinash 200, Bactrinashak, Bactrinol 100, Bactronol, Bioban, Bioban BP 10, Bioban BP 40, Bioban BP Plus, Bronidiol, Bronocot, Bronotak, Busan 1144, Canguard 409, Myacide AS, Myacide AS Plus, Myacide BT, Myacide Pharma BP, N 25, N 25 (antimicrobial), NSC 141021, Nalco 92RU093, Onyxide 500, Preventol P 100, Protectol BN, Protectol BN 98, Protectol BN 99, Pyceze, Topcide 2520, Ultra-Fresh SAB; object_uuid=fo-43ab622892246e36
cas_match_labels 1 — consensus_match group_key=bronopol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'52-51-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43ab622892246e36: {'52-51-7': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaAir
indoorUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,3-Propanediol, 2-bromo-2-nitro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Bromo-2-nitro-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Bromo-2-nitropropan-1,3-diol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Bromo-2-nitropropane-1,3-diol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Nitro-2-bromo-1,3-propanediol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acticide L 10', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Acticide L 30', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BE 6', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BE 6 (bactericide)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BNPD', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'BNPK', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bactinash 200', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bactrinashak', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bactrinol 100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bactronol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bioban', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bioban BP 10', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bioban BP 40', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bioban BP Plus', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bronidiol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bronocot', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bronotak', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Busan 1144', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Canguard 409', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Myacide AS', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Myacide AS Plus', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Myacide BT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Myacide Pharma BP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'N 25', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'N 25 (antimicrobial)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 141021', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Nalco 92RU093', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Onyxide 500', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Preventol P 100', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Protectol BN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Protectol BN 98', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Protectol BN 99', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyceze', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Topcide 2520', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ultra-Fresh SAB', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:52-51-7', 'https://commonchemistry.cas.org/detail?cas_rn=52-51-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=bronopol||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=52-51-7; added Common Chemistry CAS names as altLabel: 1,3-Propanediol, 2-bromo-2-nitro-, 2-Bromo-2-nitro-1,3-propanediol, 2-Bromo-2-nitropropan-1,3-diol, 2-Bromo-2-nitropropane-1,3-diol, 2-Nitro-2-bromo-1,3-propanediol, Acticide L 10, Acticide L 30, BE 6, BE 6 (bactericide), BNPD, BNPK, Bactinash 200, Bactrinashak, Bactrinol 100, Bactronol, Bioban, Bioban BP 10, Bioban BP 40, Bioban BP Plus, Bronidiol, Bronocot, Bronotak, Busan 1144, Canguard 409, Myacide AS, Myacide AS Plus, Myacide BT, Myacide Pharma BP, N 25, N 25 (antimicrobial), NSC 141021, Nalco 92RU093, Onyxide 500, Preventol P 100, Protectol BN, Protectol BN 98, Protectol BN 99, Pyceze, Topcide 2520, Ultra-Fresh SAB; object_uuid=fo-43ab622892246e36
cas_match_labels None {'52-51-7': 'exactMatch'} group_key=bronopol||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'52-51-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-43ab622892246e36: {'52-51-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "7431a22d-5f5c-4bb0-bd72-695bdbd6b03a",
  "name": null,
  "cas_numbers": [
    "52-51-7"
  ],
  "ec_numbers": [
    "200-143-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "indoor": "Unknown"
  },
  "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": 6241.6
    },
    {
      "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": 6241.6
    }
  ],
  "source": "EF 3.1",
  "identifier": "7431a22d-5f5c-4bb0-bd72-695bdbd6b03a",
  "input_datasets": [
    "EF 3.1"
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  "source_refs": [
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      "source_flow_uuid": "7431a22d-5f5c-4bb0-bd72-695bdbd6b03a",
      "source_flow_name": "bronopol",
      "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 air",
          "Emissions to air, indoor"
        ]
      }
    }
  ],
  "prefLabel": [
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      "@language": "en",
      "source": {
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        "prov:wasDerivedFrom": "legacy name field"
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  "_sources": {
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    "synonyms": "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-air-indr-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H6BrNO4"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
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        {
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C(C(CO)([N+](=O)[O-])Br)O",
        "O=[N+]([O-])C(Br)(CO)CO"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
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          "prov:wasDerivedFrom": "chebi.basic_property_values.smiles_string"
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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/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2"
      ],
      "rdfs:label": "InChI",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
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          "prov:wasDerivedFrom": "pubchem.props.InChI"
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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      "rdfs:label": "InChIKey",
      "provenance": [
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