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Oxychlordane

UUID cd74111b-4d0a-4fbe-9e31-79c7bffc9de9
Deprecated yes
Replaced By 57750b39-b451-4766-a631-8931d33a844e
Flow Object IDfo-635aa5cf94f070c1
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 27304-13-8
prefLabel
Language Value Provenance
en Oxychlordane
altLabel
Language Value Provenance
en 1,2,4,5,6,7,8,8-Octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-Methanoindan
en 1,2,4,5,6,7,8,8-Octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-exo,endo-4,7-Methanoindan
en 1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.0^{2,7}.0^{3,5}]undec-9-ene
en Octachlor epoxide
en Oxychlordan
en (±)-Oxychlordane
en 2,5-Methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1a<em>R</em>,1b<em>S</em>,2<em>R</em>,5<em>S</em>,5a<em>R</em>,6<em>S</em>,6a<em>S</em>)-<em>rel</em>-
en 2,5-Methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aα,1bβ,2α,5α,5aβ,6β,6aα)-
en 4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-, <em>exo</em>,<em>endo</em>-
en <em>rel</em>-(1a<em>R</em>,1b<em>S</em>,2<em>R</em>,5<em>S</em>,5a<em>R</em>,6<em>S</em>,6a<em>S</em>)-2,3,4,5,6,6a,7,7-Octachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey VWGNQYSIWFHEQU-IBAUKUMTSA-N
InChI InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1?,2?,3?,6?,7-,8+,9?/m1/s1
IUPAC name (1S,8R)-1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene, (1S,8R)-1,5,6,8,9,10,11,11-octakis(chloranyl)-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene
Molecular formula C10H4Cl8O
Molecular mass 423.765
Monoisotopic mass 419.77704
SMILES C12C(C(C3(C1O3)Cl)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl, C12C(C(C3(C1O3)Cl)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl, ClC1=C(Cl)[C@]2(Cl)C3C(Cl)C4(Cl)OC4C3[C@@]1(Cl)C2(Cl)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 cd74111b-4d0a-4fbe-9e31-79c7bffc9de9 oxychlordane

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=oxychlordane||dimension=Environmental > media=Water > water_body=Ocean; cas=27304-13-8; added Common Chemistry CAS names as altLabel: (±)-Oxychlordane, 2,5-Methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1a<em>R</em>,1b<em>S</em>,2<em>R</em>,5<em>S</em>,5a<em>R</em>,6<em>S</em>,6a<em>S</em>)-<em>rel</em>-, 2,5-Methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aα,1bβ,2α,5α,5aβ,6β,6aα)-, 4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-, <em>exo</em>,<em>endo</em>-, <em>rel</em>-(1a<em>R</em>,1b<em>S</em>,2<em>R</em>,5<em>S</em>,5a<em>R</em>,6<em>S</em>,6a<em>S</em>)-2,3,4,5,6,6a,7,7-Octachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene; object_uuid=fo-635aa5cf94f070c1
cas_match_labels 1 consensus_match group_key=oxychlordane||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'pubchem']; cas_sources={'27304-13-8': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-635aa5cf94f070c1: {'27304-13-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,2,4,5,6,7,8,8-Octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-Methanoindan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2,4,5,6,7,8,8-Octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-Methanoindan', 'http://purl.obolibrary.org/obo/CHEBI_81541', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2,4,5,6,7,8,8-Octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-exo,endo-4,7-Methanoindan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2,4,5,6,7,8,8-Octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-exo,endo-4,7-Methanoindan', 'http://purl.obolibrary.org/obo/CHEBI_81541', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.0^{2,7}.0^{3,5}]undec-9-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.0^{2,7}.0^{3,5}]undec-9-ene', 'http://purl.obolibrary.org/obo/CHEBI_81541', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Octachlor epoxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Octachlor epoxide', 'http://purl.obolibrary.org/obo/CHEBI_81541', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Oxychlordan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Oxychlordan', 'http://purl.obolibrary.org/obo/CHEBI_81541', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,2,4,5,6,7,8,8-Octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-Methanoindan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2,4,5,6,7,8,8-Octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-4,7-Methanoindan', 'http://purl.obolibrary.org/obo/CHEBI_81541', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2,4,5,6,7,8,8-Octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-exo,endo-4,7-Methanoindan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2,4,5,6,7,8,8-Octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-exo,endo-4,7-Methanoindan', 'http://purl.obolibrary.org/obo/CHEBI_81541', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.0^{2,7}.0^{3,5}]undec-9-ene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.0^{2,7}.0^{3,5}]undec-9-ene', 'http://purl.obolibrary.org/obo/CHEBI_81541', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Octachlor epoxide', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Octachlor epoxide', 'http://purl.obolibrary.org/obo/CHEBI_81541', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Oxychlordan', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Oxychlordan', 'http://purl.obolibrary.org/obo/CHEBI_81541', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-Oxychlordane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27304-13-8', 'https://commonchemistry.cas.org/detail?cas_rn=27304-13-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,5-Methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1a<em>R</em>,1b<em>S</em>,2<em>R</em>,5<em>S</em>,5a<em>R</em>,6<em>S</em>,6a<em>S</em>)-<em>rel</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27304-13-8', 'https://commonchemistry.cas.org/detail?cas_rn=27304-13-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,5-Methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aα,1bβ,2α,5α,5aβ,6β,6aα)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27304-13-8', 'https://commonchemistry.cas.org/detail?cas_rn=27304-13-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-, <em>exo</em>,<em>endo</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27304-13-8', 'https://commonchemistry.cas.org/detail?cas_rn=27304-13-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>rel</em>-(1a<em>R</em>,1b<em>S</em>,2<em>R</em>,5<em>S</em>,5a<em>R</em>,6<em>S</em>,6a<em>S</em>)-2,3,4,5,6,6a,7,7-Octachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:27304-13-8', 'https://commonchemistry.cas.org/detail?cas_rn=27304-13-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=oxychlordane||dimension=Environmental > media=Water > water_body=Ocean; cas=27304-13-8; added Common Chemistry CAS names as altLabel: (±)-Oxychlordane, 2,5-Methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1a<em>R</em>,1b<em>S</em>,2<em>R</em>,5<em>S</em>,5a<em>R</em>,6<em>S</em>,6a<em>S</em>)-<em>rel</em>-, 2,5-Methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene, 2,3,4,5,6,6a,7,7-octachloro-1a,1b,5,5a,6,6a-hexahydro-, (1aα,1bβ,2α,5α,5aβ,6β,6aα)-, 4,7-Methanoindan, 1,2,4,5,6,7,8,8-octachloro-2,3-epoxy-3a,4,7,7a-tetrahydro-, <em>exo</em>,<em>endo</em>-, <em>rel</em>-(1a<em>R</em>,1b<em>S</em>,2<em>R</em>,5<em>S</em>,5a<em>R</em>,6<em>S</em>,6a<em>S</em>)-2,3,4,5,6,6a,7,7-Octachloro-1a,1b,5,5a,6,6a-hexahydro-2,5-methano-2<em>H</em>-indeno[1,2-<em>b</em>]oxirene; object_uuid=fo-635aa5cf94f070c1
cas_match_labels None {'27304-13-8': 'exactMatch'} group_key=oxychlordane||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['chebi', 'pubchem']; cas_sources={'27304-13-8': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-635aa5cf94f070c1: {'27304-13-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "cd74111b-4d0a-4fbe-9e31-79c7bffc9de9",
  "name": null,
  "cas_numbers": [
    "27304-13-8"
  ],
  "ec_numbers": [],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "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": 21795.0
    },
    {
      "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": 21795.0
    }
  ],
  "source": "EF 3.1",
  "identifier": "cd74111b-4d0a-4fbe-9e31-79c7bffc9de9",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "cd74111b-4d0a-4fbe-9e31-79c7bffc9de9",
      "source_flow_name": "oxychlordane",
      "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 soil, unspecified"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Oxychlordane",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "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-grou-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": [
        "C10H4Cl8O"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C12C(C(C3(C1O3)Cl)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl",
        "C12C(C(C3(C1O3)Cl)Cl)[C@]4(C(=C([C@@]2(C4(Cl)Cl)Cl)Cl)Cl)Cl",
        "ClC1=C(Cl)[C@]2(Cl)C3C(Cl)C4(Cl)OC4C3[C@@]1(Cl)C2(Cl)Cl"
      ],
      "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/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1?,2?,3?,6?,7-,8+,9?/m1/s1"
      ],
      "rdfs:label": "InChI",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_string"
        },
        {
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChI"
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "VWGNQYSIWFHEQU-IBAUKUMTSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.inchi_key_string"
        },
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        }
      ]
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "@value": [
        "423.765"
      ],
      "rdfs:label": "Molecular mass",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.mass"
      }
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "@value": [
        "419.77704"
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