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Heptachlor

UUID fe0acd60-3ddc-11dd-a658-0050c2490048
Flow Object IDfo-03e8a89e933aabf1
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 76-44-8
EC Numbers 200-962-3
prefLabel
Language Value Provenance
en Heptachlor
altLabel
Language Value Provenance
en 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene
en 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene
en 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene
en 3-chlorochlordene
en Heptachlorane
en Heptamul
en 1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene
en 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1<em>H</em>-indene
en 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene
en 1,4,5,6,7,8,8-Heptachloro-3α,4,7,7α-tetrahydro-4,7-<em>endo</em>-methanoindene
en 4,7-Methano-1<em>H</em>-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-
en 4,7-Methanoindene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-
en Aahepta
en Agroceres
en Arbinex 30TN
en E 3314
en ENT 15,152
en GPKh
en Hepta
en Heptox
en MeSH ID: D006533
en NSC 8930
en Rhodiachlor
en Velsicol 104
Definitions
Language Value Provenance
en A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey FRCCEHPWNOQAEU-UHFFFAOYSA-N
InChI InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
IUPAC name 1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene, 1,5,7,8,9,10,10-heptakis(chloranyl)tricyclo[5.2.1.02,6]deca-3,8-diene
Molecular formula C10H5Cl7
Molecular mass 373.321
Monoisotopic mass 369.82109
SMILES C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl, ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-a658-0050c2490048 heptachlor

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 heptachlor 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 1 consensus_match group_key=heptachlor||dimension=Environmental > media=Air > indoor=Unknown; cas=76-44-8; added Common Chemistry CAS names as altLabel: 1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene, 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1<em>H</em>-indene, 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene, 1,4,5,6,7,8,8-Heptachloro-3α,4,7,7α-tetrahydro-4,7-<em>endo</em>-methanoindene, 4,7-Methano-1<em>H</em>-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-, 4,7-Methanoindene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-, Aahepta, Agroceres, Arbinex 30TN, E 3314, ENT 15,152, GPKh, Hepta, Heptox, MeSH ID: D006533, NSC 8930, Rhodiachlor, Velsicol 104; object_uuid=fo-03e8a89e933aabf1
cas_match_labels 1 consensus_match group_key=heptachlor||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'76-44-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-03e8a89e933aabf1: {'76-44-8': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-chlorochlordene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-chlorochlordene', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Heptachlorane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Heptachlorane', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Heptamul', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Heptamul', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.0(2,6)]deca-3,8-diene', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-chlorochlordene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-chlorochlordene', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Heptachlorane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Heptachlorane', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Heptamul', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Heptamul', 'http://purl.obolibrary.org/obo/CHEBI_34785', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1<em>H</em>-indene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4,5,6,7,8,8-Heptachloro-3α,4,7,7α-tetrahydro-4,7-<em>endo</em>-methanoindene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,7-Methano-1<em>H</em>-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4,7-Methanoindene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Aahepta', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Agroceres', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Arbinex 30TN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'E 3314', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ENT 15,152', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'GPKh', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hepta', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Heptox', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D006533', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 8930', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rhodiachlor', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Velsicol 104', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:76-44-8', 'https://commonchemistry.cas.org/detail?cas_rn=76-44-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=heptachlor||dimension=Environmental > media=Air > indoor=Unknown; cas=76-44-8; added Common Chemistry CAS names as altLabel: 1,4,5,6,7,10,10-Heptachloro-4,7,8,9-tetrahydro-4,7-methyleneindene, 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1<em>H</em>-indene, 1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methanoindene, 1,4,5,6,7,8,8-Heptachloro-3α,4,7,7α-tetrahydro-4,7-<em>endo</em>-methanoindene, 4,7-Methano-1<em>H</em>-indene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-, 4,7-Methanoindene, 1,4,5,6,7,8,8-heptachloro-3a,4,7,7a-tetrahydro-, Aahepta, Agroceres, Arbinex 30TN, E 3314, ENT 15,152, GPKh, Hepta, Heptox, MeSH ID: D006533, NSC 8930, Rhodiachlor, Velsicol 104; object_uuid=fo-03e8a89e933aabf1
cas_match_labels None {'76-44-8': 'exactMatch'} group_key=heptachlor||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'76-44-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-03e8a89e933aabf1: {'76-44-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fe0acd60-3ddc-11dd-a658-0050c2490048",
  "name": null,
  "cas_numbers": [
    "76-44-8"
  ],
  "ec_numbers": [
    "200-962-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1158.4
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    {
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      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.000089537
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
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      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
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      "characterization_factor": 5.1888e-6
    },
    {
      "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": 5.1888e-6
    },
    {
      "method_uuid": "503699e0-eca9-4089-8bf8-e0f49c93e578",
      "name": "Human toxicity, cancer_organics",
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      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 0.000089537
    },
    {
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      "name": "Ecotoxicity, freshwater_organics",
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 1158.4
    }
  ],
  "source": "EF 3.1",
  "identifier": "fe0acd60-3ddc-11dd-a658-0050c2490048",
  "input_datasets": [
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  "source_refs": [
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      "source_flow_uuid": "fe0acd60-3ddc-11dd-a658-0050c2490048",
      "source_flow_name": "heptachlor",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to soil",
          "Emissions to agricultural soil"
        ]
      }
    }
  ],
  "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-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": [
        "C10H5Cl7"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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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": [
        "C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl",
        "ClC1=C(Cl)C2(Cl)C3C(Cl)C=CC3C1(Cl)C2(Cl)Cl"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
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