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Diisononyl phthalate

UUID afc6cf39-26bd-4e59-b818-122a2d213d57
Flow Object IDfo-ab6868bececceea9
Source EF 3.1
Context Environmental → Ground → Unknown
CAS Numbers 28553-12-0
EC Numbers 249-079-5
prefLabel
Language Value Provenance
en Diisononyl phthalate
altLabel
Language Value Provenance
en 1,2-Benzenedicarboxylic acid, diisononyl ester
en Enj 2065
en Phthalic acid, diisononyl ester
en bis(7-methyloctyl) benzene-1,2-dicarboxylate
en 1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester
en Baylectrol 4200
en DINP
en Diacizer DINP
en Isononyl alcohol, phthalate (2:1)
en JAY-DINP
en Jayflex DINP
en Jayflex DINP-S
en Monocizer DINP
en Palatinol DINP
en Palatinol DN
en Palatinol N
en Phthalisocizer DINP
en Plastomoll DINP
en Sansocizer DINP
en Vestinol 9
en Vestinol NN
en Vinycizer 90
en Witamol 150
Definitions
Language Value Provenance
en The diisononyl ester of benzene-1,2-dicarboxylic acid.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey HBGGXOJOCNVPFY-UHFFFAOYSA-N
InChI InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
IUPAC name benzene-1,2-dicarboxylic acid bis(7-methyloctyl) ester, bis(7-methyloctyl) benzene-1,2-dicarboxylate
Molecular formula C26H42O4
Molecular mass 418.618
Monoisotopic mass 418.30831
SMILES CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C, CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 afc6cf39-26bd-4e59-b818-122a2d213d57 di-''isononyl'' phthalate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 di-''isononyl'' phthalate Emissions/Emissions to soil/Emissions to soil, unspecified kg exactMatch

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 consensus_match group_key=di-''isononyl''phthalate||dimension=Environmental > media=Ground > geography=Agricultural; cas=28553-12-0; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester, Baylectrol 4200, DINP, Diacizer DINP, Isononyl alcohol, phthalate (2:1), JAY-DINP, Jayflex DINP, Jayflex DINP-S, Monocizer DINP, Palatinol DINP, Palatinol DN, Palatinol N, Phthalisocizer DINP, Plastomoll DINP, Sansocizer DINP, Vestinol 9, Vestinol NN, Vinycizer 90, Witamol 150; object_uuid=fo-ab6868bececceea9
cas_match_labels 1 consensus_match group_key=di-''isononyl''phthalate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'28553-12-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ab6868bececceea9: {'28553-12-0': 'exactMatch'}
prefLabel 1 consensus_match cas=28553-12-0; cc_chebi_agreed_name='Diisononyl phthalate'; object_uuid=fo-ab6868bececceea9

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyUnknown

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': "Di-''isononyl'' Phthalate", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Diisononyl phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=28553-12-0; cc_chebi_agreed_name='Diisononyl phthalate'; object_uuid=fo-ab6868bececceea9
altLabel [{'@value': '1,2-Benzenedicarboxylic acid, diisononyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-Benzenedicarboxylic acid, diisononyl ester', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Diisononyl phthalate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Diisononyl phthalate', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Enj 2065', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Enj 2065', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phthalic acid, diisononyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phthalic acid, diisononyl ester', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis(7-methyloctyl) benzene-1,2-dicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(7-methyloctyl) benzene-1,2-dicarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '1,2-Benzenedicarboxylic acid, diisononyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-Benzenedicarboxylic acid, diisononyl ester', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Enj 2065', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Enj 2065', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phthalic acid, diisononyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phthalic acid, diisononyl ester', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis(7-methyloctyl) benzene-1,2-dicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(7-methyloctyl) benzene-1,2-dicarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "Di-''isononyl'' Phthalate", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=28553-12-0; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-ab6868bececceea9
altLabel [{'@value': '1,2-Benzenedicarboxylic acid, diisononyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-Benzenedicarboxylic acid, diisononyl ester', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Enj 2065', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Enj 2065', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phthalic acid, diisononyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phthalic acid, diisononyl ester', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis(7-methyloctyl) benzene-1,2-dicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(7-methyloctyl) benzene-1,2-dicarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': "Di-''isononyl'' Phthalate", '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '1,2-Benzenedicarboxylic acid, diisononyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:1,2-Benzenedicarboxylic acid, diisononyl ester', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Enj 2065', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Enj 2065', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phthalic acid, diisononyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phthalic acid, diisononyl ester', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'bis(7-methyloctyl) benzene-1,2-dicarboxylate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:bis(7-methyloctyl) benzene-1,2-dicarboxylate', 'http://purl.obolibrary.org/obo/CHEBI_35459', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Baylectrol 4200', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DINP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diacizer DINP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Isononyl alcohol, phthalate (2:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'JAY-DINP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Jayflex DINP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Jayflex DINP-S', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Monocizer DINP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Palatinol DINP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Palatinol DN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Palatinol N', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phthalisocizer DINP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Plastomoll DINP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sansocizer DINP', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vestinol 9', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vestinol NN', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vinycizer 90', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Witamol 150', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:28553-12-0', 'https://commonchemistry.cas.org/detail?cas_rn=28553-12-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=di-''isononyl''phthalate||dimension=Environmental > media=Ground > geography=Agricultural; cas=28553-12-0; added Common Chemistry CAS names as altLabel: 1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester, Baylectrol 4200, DINP, Diacizer DINP, Isononyl alcohol, phthalate (2:1), JAY-DINP, Jayflex DINP, Jayflex DINP-S, Monocizer DINP, Palatinol DINP, Palatinol DN, Palatinol N, Phthalisocizer DINP, Plastomoll DINP, Sansocizer DINP, Vestinol 9, Vestinol NN, Vinycizer 90, Witamol 150; object_uuid=fo-ab6868bececceea9
cas_match_labels None {'28553-12-0': 'exactMatch'} group_key=di-''isononyl''phthalate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'28553-12-0': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-ab6868bececceea9: {'28553-12-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "afc6cf39-26bd-4e59-b818-122a2d213d57",
  "name": null,
  "cas_numbers": [
    "28553-12-0"
  ],
  "ec_numbers": [
    "249-079-5"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
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      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.000074631
    },
    {
      "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": 3.4604e-11
    },
    {
      "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": 3.4604e-11
    },
    {
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      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 0.000074631
    }
  ],
  "source": "EF 3.1",
  "identifier": "afc6cf39-26bd-4e59-b818-122a2d213d57",
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      "source_metadata": {
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          "Emissions to soil",
          "Emissions to soil, unspecified"
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  ],
  "prefLabel": [
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    "properties": "enrich_references",
    "skos:definition": "enrich_references",
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    "altLabel": "consensus_match",
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-grou-unkn",
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  "properties": {
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      "@value": [
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      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
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    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
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      "rdfs:label": "SMILES",
      "provenance": [
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