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Caprolactam

UUID fe0acd60-3ddc-11dd-aff7-0050c2490048
Flow Object IDfo-93c107845d9c319e
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 105-60-2
EC Numbers 203-313-2
prefLabel
Language Value Provenance
en Caprolactam
altLabel ⓘ
Language Value Provenance
en 2-ketohexamethyleneimine
en 2-oxohexamethylenimine
en 6-caprolactam
en Kaprolaktam
en aminocaproic lactam
en azepan-2-one
en epsilon-Caprolactam
en hexahydro-2H-azepin-2-one
en 1-Aza-2-cycloheptanone
en 2-Azacycloheptanone
en 2-Ketohexamethylenimine
en 2-Oxoazepane
en 2-Perhydroazepinone
en 2<em>H</em>-Azepin-2-one, hexahydro-
en 6-Aminohexanoic acid lactam
en 6-Hexanelactam
en A 19374
en AP
en AP (lactam)
en AP-Nylon
en C 2204
en Hexahydro-1<em>H</em>-azepin-2-one
en Hexahydro-2-azepinone
en Hexahydro-2<em>H</em>-azepin-2-one
en Hexano-6-lactam
en Hexanoic acid, 6-amino-, cyclic lactam
en Hexanolactam
en MeSH ID: D002209
en NSC 117393
en NSC 25536
en NSC 4977
en ε-Caprolactam
en ω-Caprolactam
Definitions
Language Value Provenance
en A member of the class of caprolactams that is azepane substituted by an oxo group at position 2.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey JBKVHLHDHHXQEQ-UHFFFAOYSA-N
InChI InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
IUPAC name 2-azepanone, azepan-2-one
Molecular formula C6H11NO
Molecular mass 113.16
Monoisotopic mass 113.08406
SMILES C1CCC(=O)NCC1, O=C1CCCCCN1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-aff7-0050c2490048 caprolactam

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 caprolactam Emissions/Emissions to water/Emissions to sea water 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=caprolactam||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=105-60-2; added Common Chemistry CAS names as altLabel: 1-Aza-2-cycloheptanone, 2-Azacycloheptanone, 2-Ketohexamethylenimine, 2-Oxoazepane, 2-Perhydroazepinone, 2<em>H</em>-Azepin-2-one, hexahydro-, 6-Aminohexanoic acid lactam, 6-Hexanelactam, A 19374, AP, AP (lactam), AP-Nylon, C 2204, Hexahydro-1<em>H</em>-azepin-2-one, Hexahydro-2-azepinone, Hexahydro-2<em>H</em>-azepin-2-one, Hexano-6-lactam, Hexanoic acid, 6-amino-, cyclic lactam, Hexanolactam, MeSH ID: D002209, NSC 117393, NSC 25536, NSC 4977, ε-Caprolactam, ω-Caprolactam; object_uuid=fo-93c107845d9c319e
cas_match_labels 1 — consensus_match group_key=caprolactam||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-60-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-93c107845d9c319e: {'105-60-2': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2-ketohexamethyleneimine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ketohexamethyleneimine', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-oxohexamethylenimine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-oxohexamethylenimine', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-caprolactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-caprolactam', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Kaprolaktam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Kaprolaktam', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'aminocaproic lactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:aminocaproic lactam', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'azepan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:azepan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'epsilon-Caprolactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:epsilon-Caprolactam', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hexahydro-2H-azepin-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hexahydro-2H-azepin-2-one', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2-ketohexamethyleneimine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-ketohexamethyleneimine', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-oxohexamethylenimine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-oxohexamethylenimine', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '6-caprolactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:6-caprolactam', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Kaprolaktam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Kaprolaktam', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'aminocaproic lactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:aminocaproic lactam', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'azepan-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:azepan-2-one', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'epsilon-Caprolactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:epsilon-Caprolactam', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'hexahydro-2H-azepin-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:hexahydro-2H-azepin-2-one', 'http://purl.obolibrary.org/obo/CHEBI_28579', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-Aza-2-cycloheptanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Azacycloheptanone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Ketohexamethylenimine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Oxoazepane', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Perhydroazepinone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2<em>H</em>-Azepin-2-one, hexahydro-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-Aminohexanoic acid lactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '6-Hexanelactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'A 19374', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'AP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'AP (lactam)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'AP-Nylon', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'C 2204', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexahydro-1<em>H</em>-azepin-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexahydro-2-azepinone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexahydro-2<em>H</em>-azepin-2-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexano-6-lactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanoic acid, 6-amino-, cyclic lactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hexanolactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D002209', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 117393', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 25536', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 4977', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ε-Caprolactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'ω-Caprolactam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:105-60-2', 'https://commonchemistry.cas.org/detail?cas_rn=105-60-2'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=caprolactam||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=105-60-2; added Common Chemistry CAS names as altLabel: 1-Aza-2-cycloheptanone, 2-Azacycloheptanone, 2-Ketohexamethylenimine, 2-Oxoazepane, 2-Perhydroazepinone, 2<em>H</em>-Azepin-2-one, hexahydro-, 6-Aminohexanoic acid lactam, 6-Hexanelactam, A 19374, AP, AP (lactam), AP-Nylon, C 2204, Hexahydro-1<em>H</em>-azepin-2-one, Hexahydro-2-azepinone, Hexahydro-2<em>H</em>-azepin-2-one, Hexano-6-lactam, Hexanoic acid, 6-amino-, cyclic lactam, Hexanolactam, MeSH ID: D002209, NSC 117393, NSC 25536, NSC 4977, ε-Caprolactam, ω-Caprolactam; object_uuid=fo-93c107845d9c319e
cas_match_labels None {'105-60-2': 'exactMatch'} group_key=caprolactam||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'105-60-2': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-93c107845d9c319e: {'105-60-2': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "fe0acd60-3ddc-11dd-aff7-0050c2490048",
  "name": null,
  "cas_numbers": [
    "105-60-2"
  ],
  "ec_numbers": [
    "203-313-2"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Ocean"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.000085726
    },
    {
      "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": 6.6656e-12
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
      "name": "Human toxicity, non-cancer_organics",
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 6.6656e-12
    },
    {
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.000085726
    }
  ],
  "source": "EF 3.1",
  "identifier": "fe0acd60-3ddc-11dd-aff7-0050c2490048",
  "input_datasets": [
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      "source_flow_uuid": "fe0acd60-3ddc-11dd-aff7-0050c2490048",
      "source_flow_name": "caprolactam",
      "source_metadata": {
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        "input_dataset": "EF 3.1",
        "original_context": [
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          "Emissions to sea water"
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  "prefLabel": [
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-ocea",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H11NO"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
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