← Back to consensus flows

1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene

2D structure
UUID beeb93fc-6e39-4df1-862d-4d391370655a
Flow Object IDfo-f0f51ae32dbc6a70
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 13560-89-9
EC Numbers 236-948-9
prefLabel
Language Value Provenance
en 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene
altLabel ⓘ
Language Value Provenance
en 1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctane
en 1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctene
en 1,4:7,10-Dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-
en Bis(hexachlorocyclopentadieno)cyclooctane
en Dechloran A
en Dechlorane Plus
en Dechlorane Plus 1000
en Dechlorane Plus 25
en Dechlorane Plus 2520
en Dechlorane Plus 35
en Dechlorane Plus 515
en Dodecachlorodimethanodibenzocyclooctane
en Dodecachlorododecahydrodimethanodibenzocyclooctane
en Dodecachlorododecahydrodimethanodibenzocyclooctene
en JK 91194
References
Shared Properties
Predicate Value
InChIKey UGQQAJOWXNCOPY-AOHCVTONSA-N, UGQQAJOWXNCOPY-MZZULMBRSA-N, UGQQAJOWXNCOPY-RSMUONTLSA-N, UGQQAJOWXNCOPY-UHFFFAOYSA-N
InChI InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2, InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2/t5-,6+,7+,8-,13-,14-,15+,16-/m0/s1, InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2/t5?,6?,7?,8?,13-,14-,15+,16+, InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2/t5?,6?,7?,8?,13-,14?,15+,16?
IUPAC name (1R,14S)-1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene, (1R,14S)-1,6,7,8,9,14,15,16,17,17,18,18-dodecakis(chloranyl)pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene, (1R,2R,5S,6S,9S,10R,13S,14S)-1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene, (1R,2R,5S,6S,9S,10R,13S,14S)-1,6,7,8,9,14,15,16,17,17,18,18-dodecakis(chloranyl)pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene, (1S,6S,9R,14R)-1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene, (1S,6S,9R,14R)-1,6,7,8,9,14,15,16,17,17,18,18-dodecakis(chloranyl)pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene, 1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene, 1,6,7,8,9,14,15,16,17,17,18,18-dodecakis(chloranyl)pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
Molecular formula C18H12Cl12
Molecular mass 653.73
Monoisotopic mass 647.720133
SMILES C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl, C1CC2C(CCC3C1[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl, C1CC2C(CCC3C1[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl)[C@@]5(C(=C([C@]2(C5(Cl)Cl)Cl)Cl)Cl)Cl, C1C[C@H]2[C@@H](CC[C@H]3[C@@H]1[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl)[C@@]5(C(=C([C@@]2(C5(Cl)Cl)Cl)Cl)Cl)Cl, ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 beeb93fc-6e39-4df1-862d-4d391370655a 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene 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=1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene||dimension=Environmental > media=Water > water_body=Surface water; cas=13560-89-9; added Common Chemistry CAS names as altLabel: 1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctane, 1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctene, 1,4:7,10-Dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-, Bis(hexachlorocyclopentadieno)cyclooctane, Dechloran A, Dechlorane Plus, Dechlorane Plus 1000, Dechlorane Plus 25, Dechlorane Plus 2520, Dechlorane Plus 35, Dechlorane Plus 515, Dodecachlorodimethanodibenzocyclooctane, Dodecachlorododecahydrodimethanodibenzocyclooctane, Dodecachlorododecahydrodimethanodibenzocyclooctene, JK 91194; object_uuid=fo-f0f51ae32dbc6a70
cas_match_labels 1 — consensus_match group_key=1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13560-89-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f0f51ae32dbc6a70: {'13560-89-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1,4:7,10-Dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bis(hexachlorocyclopentadieno)cyclooctane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dechloran A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dechlorane Plus', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dechlorane Plus 1000', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dechlorane Plus 25', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dechlorane Plus 2520', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dechlorane Plus 35', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dechlorane Plus 515', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dodecachlorodimethanodibenzocyclooctane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dodecachlorododecahydrodimethanodibenzocyclooctane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dodecachlorododecahydrodimethanodibenzocyclooctene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'JK 91194', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13560-89-9', 'https://commonchemistry.cas.org/detail?cas_rn=13560-89-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene||dimension=Environmental > media=Water > water_body=Surface water; cas=13560-89-9; added Common Chemistry CAS names as altLabel: 1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctane, 1,2,3,4,7,8,9,10,13,13,14,14-Dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctene, 1,4:7,10-Dimethanodibenzo[<em>a</em>,<em>e</em>]cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-, Bis(hexachlorocyclopentadieno)cyclooctane, Dechloran A, Dechlorane Plus, Dechlorane Plus 1000, Dechlorane Plus 25, Dechlorane Plus 2520, Dechlorane Plus 35, Dechlorane Plus 515, Dodecachlorodimethanodibenzocyclooctane, Dodecachlorododecahydrodimethanodibenzocyclooctane, Dodecachlorododecahydrodimethanodibenzocyclooctene, JK 91194; object_uuid=fo-f0f51ae32dbc6a70
cas_match_labels None {'13560-89-9': 'exactMatch'} group_key=1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13560-89-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f0f51ae32dbc6a70: {'13560-89-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "beeb93fc-6e39-4df1-862d-4d391370655a",
  "name": null,
  "cas_numbers": [
    "13560-89-9"
  ],
  "ec_numbers": [
    "236-948-9"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "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": 0.14367
    },
    {
      "method_uuid": "7cfdcfcf-b222-4b26-888a-a55f9fbf7ac8",
      "name": "Human toxicity, non-cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 6.7789e-10
    },
    {
      "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": 6.7789e-10
    },
    {
      "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": 0.14367
    }
  ],
  "source": "EF 3.1",
  "identifier": "beeb93fc-6e39-4df1-862d-4d391370655a",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "beeb93fc-6e39-4df1-862d-4d391370655a",
      "source_flow_name": "1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene",
      "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": "1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-1,4:7,10-dimethanodibenzo[a,e][8]annulene",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "bootstrap_labels",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "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"
  },
  "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": [
        "C18H12Cl12"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:26111",
            "CID:14178852",
            "CID:122130587",
            "CID:132451829"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "C1CC2C(CCC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C5(C(=C(C2(C5(Cl)Cl)Cl)Cl)Cl)Cl"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "UGQQAJOWXNCOPY-AOHCVTONSA-N",
        "UGQQAJOWXNCOPY-MZZULMBRSA-N",
        "UGQQAJOWXNCOPY-RSMUONTLSA-N",
        "UGQQAJOWXNCOPY-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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